| Identification | More | [Name]
3-PHENYLPROPYL ISOTHIOCYANATE | [CAS]
2627-27-2 | [Synonyms]
3-PHENYLPROPYL ISOTHIOCYANATE
PHENYLPROPYL ISOTHIOCYANATE, 3-
(3-Isothiocyanatopropyl)benzene
PHENYLPROPYLISOTHIOCYANATE | [EINECS(EC#)]
220-094-9 | [Molecular Formula]
C10H11NS | [MDL Number]
MFCD00041134 | [Molecular Weight]
177.27 | [MOL File]
2627-27-2.mol |
| Chemical Properties | Back Directory | [Boiling point ]
156 °C | [density ]
1.07 | [refractive index ]
1.5780 | [Fp ]
156-160°C/12mm | [form ]
solid | [Specific Gravity]
1.07 | [Sensitive ]
Moisture Sensitive | [BRN ]
2209321 | [InChI]
1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2 | [InChIKey]
GRUOGLPIAPZLHJ-UHFFFAOYSA-N | [SMILES]
S=C=NCCCC1=CC=CC=C1 | [CAS DataBase Reference]
2627-27-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [RIDADR ]
2927 | [WGK Germany ]
WGK 3 | [HazardClass ]
8 | [PackingGroup ]
III | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
3-Phenylpropyl isothiocyanate is an isothiocyanate inducer of phase II detoxifying enzymes. | [Definition]
ChEBI: 1-Isothiocyanato-3-phenylpropane is a member of benzenes. | [in vivo]
3-Phenylpropyl isothiocyanate (5, 1, or 0.2 μmol; gavage; A/J mice; daily for 4 consecutive days prior to administration of 10 μmol of NNK by i.p. injection) effectively inhibited NNK-induced lung tumors. |
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