Compound Summary
ALLYL ISOTHIOCYANATE
Compound Information
ALLYL ISOTHIOCYANATE
Compound Name: | ALLYL ISOTHIOCYANATE |
Compound CID: | 5971 |
Synonyms: | ALLYL ISOTHIOCYANATE 57-06-7 3-isothiocyanatoprop-1-ene MUSTARD OIL ALLYLISOTHIOCYANATE More... |
Iupac Name: | 3-isothiocyanatoprop-1-ene |
InChI: | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
InChIKey: | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
Canonical Smiles: | C=CCN=C=S |
Isomeric Smiles: | C=CCN=C=S |
Molecular Weight: | 99.16 |
Molecular Formula: | C4H5NS |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ALLYL ISOTHIOCYANATE
Molecular Weight: | 99.16 |
Molecular Formula: | C4H5NS |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 6 |
Complexity: | 81.5 |
Synonyms
ALLYL ISOTHIOCYANATE
| ALLYL ISOTHIOCYANATE | ALLYL ISOTHIOCYANATE |
|---|---|
ALLYL ISOTHIOCYANATE |
57-06-7 |
3-isothiocyanatoprop-1-ene |
MUSTARD OIL |
ALLYLISOTHIOCYANATE |
Redskin |
AITC |
Oil Of mustard |
Allylsenevol |
Allylsenfoel |
Allyl mustard oil |
Oleum sinapis |
Allylsevenolum |
Senfoel |
Volatile mustard oil |
Allyl isosulfocyanate |
Synthetic mustard oil |
2-Propenyl isothiocyanate |
1-Propene, 3-isothiocyanato- |
Allyspol |
Carbospol |
Volatile oil of mustard |
Senf oel |
Oleum sinapis volatile |
Isothiocyanate dallyle |
3-Isothiocyanato-1-propene |
Allyl sevenolum |
Isothiocyanic acid allyl ester |
Allyspol 75EC |
Allyl thioisocyanate |
Oil of mustard, artificial |
Allyl isosulphocyanate |
Artificial mustard oil |
Caswell No. 027 |
Isothiocyansaeureallylester |
Allylisothiokyanat Czech |
NCI-C50464 |
Allyl isothiocyanate (natural) |
FEMA No. 2034 |
Isothiocyanic acid, allyl ester |
NSC 5572 |
8007-40-7 |
UNII-BN34FX42G3 |
Allyl isothiocyanate, non-perfume grade |
Propene, 3-isothiocyanato- |
Allyl isothiocyanate (USP) |
3-iso-Thiocyanatoprop-1-ene |
BN34FX42G3 |
CHEMBL233248 |
CHEBI:73224 |
NCGC00091743-01 |
prop-2-enisothiocyanate |
DSSTox_CID_47 |
DSSTox_RID_75336 |
DSSTox_GSID_20047 |
Senf oel German |
Mustard oil (VAN) |
Mustard oil, volatile |
Allylsenfoel German |
FEMA Number 2034 |
Artificial oil of mustard |
Allylisothiokyanat |
CAS-57-06-7 |
CCRIS 20 |
Oil of mustard BPC 1949 |
HSDB 617 |
Mustard oil, volatile, synthetic |
Isothiocyanate dallyle French |
EINECS 200-309-2 |
UN1545 |
EPA Pesticide Chemical Code 004901 |
BRN 0773748 |
AI3-15283 |
Allyl isothiocyanate USAN:USP |
MFCD00004822 |
allyl-iso-thiocyanate |
Mustard Essential oil |
3-isothiocyanato-propene |
Mustard Oil (Synthetic) |
Allyl isothiocyanate, 97% |
WLN: SCN2U1 |
3-isothiocyanate-prop-1-ene |
3-isothiocyanato-prop-1-ene |
Potassium allyl isothiocyanate |
GTPL2420 |
Allyl isothiocyanate, stabilized |
DTXSID3020047 |
NSC5572 |
HMS3264D06 |
Pharmakon1600-01506103 |
NSC-5572 |
ZINC1687017 |
Tox21_111165 |
Tox21_202249 |
Tox21_302890 |
5832AE |
Allyl isothiocyanate, >=95%, FCC |
BBL027483 |
BDBM50203072 |
NSC760137 |
SBB060631 |
STL194262 |
Allyl isothiocyanate non-perfume grade |
ISOTHIOCYANIC ACID,ALLYL ESTER |
AKOS000119301 |
CCG-213613 |
MCULE-3404572895 |
NSC-760137 |
NCGC00091743-02 |
NCGC00256536-01 |
NCGC00259798-01 |
BP-12926 |
Allyl isothiocyanate, purum, >=98% (GC) |
DB-022435 |
Potassium, (1-isothiocyanato-2-propenyl)- |
I0185 |
ST51046777 |
C19317 |
D02818 |
AB01563144_01 |
Q419406 |
Allyl isothiocyanate 100 microg/mL in Acetonitrile |
Allyl isothiocyanate, stabilized (0.1% tocopherols) |
J-512735 |
Allyl isothiocyanate, contains BHT as stabilizer, 95% |
Allyl isothiocyanate, stabilized UN1545 Poison |
F9995-1653 |
Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized |
1058737-73-7 |
3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard |
Experimental Data
ALLYL ISOTHIOCYANATE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 1.000000000000000 | mM | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 500.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 2.000000000000000 | mM | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 1.000000000000000 | mM | -4.920000000000000 | 0.000000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 2.000000000000000 | mM | -5.210000000000000 | 0.000000000000000 | S | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | -3.420000000000000 | -5.260000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 500.000000000000000 | umol/L | -5.360000000000000 | 5.260000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 1.890000000000000 | -10.530000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 500.000000000000000 | umol/L | -3.090000000000000 | 5.260000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | -0.340000000000000 | 0.000000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | -2.130000000000000 | -10.530000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 1.000000000000000 | mM | -2.720000000000000 | -5.260000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | -0.500000000000000 | 0.000000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 0.050000000000000 | 10.530000000000000 | NS | N2 | 33683565 | Inactive | |||||
| Caenorhabditis elegans | 2.000000000000000 | mM | -9.510000000000000 | -10.530000000000000 | S | N2 | 33683565 | Inactive |
Experimental Data Visualization
ALLYL ISOTHIOCYANATE
Statistics Data
ALLYL ISOTHIOCYANATE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.890000000000000 | 10.530000000000000 | 1 | 18 |
Statistics Data Visualization
ALLYL ISOTHIOCYANATE
