1-isocyanato-2-methylsulfanylbenzene

Modify Date: 2025-08-23 18:11:17

1-isocyanato-2-methylsulfanylbenzene Structure
1-isocyanato-2-methylsulfanylbenzene structure
Common Name 1-isocyanato-2-methylsulfanylbenzene
CAS Number 52260-30-7 Molecular Weight 165.21200
Density 1.11g/cm3 Boiling Point 237ºC at 760mmHg
Molecular Formula C8H7NOS Melting Point N/A
MSDS N/A Flash Point 97.1ºC

 Names

Name 1-isocyanato-2-methylsulfanylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 237ºC at 760mmHg
Molecular Formula C8H7NOS
Molecular Weight 165.21200
Flash Point 97.1ºC
Exact Mass 165.02500
PSA 54.73000
LogP 2.37580
Index of Refraction n20/D 1.6(lit.)
InChIKey WQXASSKJZYKJSI-UHFFFAOYSA-N
SMILES CSc1ccccc1N=C=O

 Safety Information

Hazard Codes Xn,Xi
Risk Phrases R20/21/22
Safety Phrases 23-26-36
RIDADR UN 2922 8/PG 2
HS Code 2930909090

 Synthetic Route

~%

1-isocyanato-2-methylsulfanylbenzene Structure

1-isocyanato-2-...

CAS#:52260-30-7

Literature: Bermudez, Jose; Dabbs, Steven; King, Frank D. Journal of Medicinal Chemistry, 1990 , vol. 33, # 7 p. 1932 - 1935

 Precursor & DownStream

Precursor  2

DownStream  0

 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

2-Isocyanatothioanisole
o-methylsulfanylphenylisocyanate
MFCD00037076
2-methylthiobenzenisocyanate
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