3-(methylthio)phenyl isothiocyanate

Modify Date: 2025-08-25 10:49:21

3-(methylthio)phenyl isothiocyanate Structure
3-(methylthio)phenyl isothiocyanate structure
Common Name 3-(methylthio)phenyl isothiocyanate
CAS Number 51333-80-3 Molecular Weight 181.27800
Density 1.211 g/mL at 25 °C(lit.) Boiling Point 306-307 °C(lit.)
Molecular Formula C8H7NS2 Melting Point N/A
MSDS N/A Flash Point >230 °F

 Names

Name 3-(methylthio)phenyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.211 g/mL at 25 °C(lit.)
Boiling Point 306-307 °C(lit.)
Molecular Formula C8H7NS2
Molecular Weight 181.27800
Flash Point >230 °F
Exact Mass 181.00200
PSA 69.75000
LogP 3.14280
Index of Refraction n20/D >1.3930(lit.)
InChIKey IHKAGFVCXPFGRP-UHFFFAOYSA-N
SMILES CSc1cccc(N=C=S)c1
Storage condition Keep Cold

 Safety Information

Hazard Codes Xn,T
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S23-S26-S36
RIDADR 2810
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

MFCD00041079
1-isothiocyanato-3-methylsulfanylbenzene
3-(Methylthio)phenyl isothiocyanate
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