3-(METHYLTHIO)PHENYL ISOTHIOCYANATE

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Catalog Number
ACM51333803
Product Name
3-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Structure
Structure
CAS
51333-80-3
Category
Heterocyclic Organic Compound
Synonyms
3-(Methylthio)phenyl isothiocyanate, 533912_ALDRICH, ZINC02168489, BB_SC-1833, 1-Isothiocyanato-3-(methylsulfanyl)benzene, CID142841, STK803254, 51333-80-3
IUPAC Name
1-isothiocyanato-3-methylsulfanylbenzene
Molecular Weight
181.28
Molecular Formula
C8H7NS2
Canonical SMILES
CSC1=CC=CC(=C1)N=C=S
InChI Key
IHKAGFVCXPFGRP-UHFFFAOYSA-N
Boiling Point
305.8ºC at 760mmHg
Flash Point
138.7ºC
Density
1.211 g/mL at 25 °C(lit.)
Exact Mass
181.00200
Hazard Statements
Xn,T
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
MSDS
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COA
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Spec Sheet
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