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Methyl thiosalicylate

Methyl thiosalicylate structure

CAS No:
4892-02-8
Formula:
C8H8O2S
Chemical Name:
Methyl thiosalicylate
Synonyms:
Benzoic acid,2-mercapto-,methyl ester;Benzoic acid,o-mercapto-,methyl ester;Methyl thiosalicylate;Methyl 2-mercaptobenzoate;Methyl o-mercaptobenzoate;2-(Methoxycarbonyl)thiophenol;2-Mercaptobenzoic acid methyl ester;Methyl 2-thiosalicylate;NSC 30156;2-(Methoxycarbonyl)benzenethiol;Thiosalicylic acid methyl ester;Methyl 2-sulfanylbenzoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow or light green

Methyl thiosalicylate Basic Attributes

Molecular Weight：

168.21

Exact Mass：

168.21

EC Number：

232-189-9

NSC Number：

30156

HScode：

2930909090

Characteristics

PSA：

65.10000

XLogP3：

1.9

Appearance：

Clear colorless to light yellow or light green Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

164 °C

Boiling Point：

115-119 °C @ Press: 1-2 Torr

Flash Point：

>230 °F

Refractive Index：

1.574

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

RTECS Number：

DH3500000

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:27.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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