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methyl4-methylsulfanylbenzoate

methyl4-methylsulfanylbenzoate structure

CAS No:
3795-79-7
Formula:
C9H10O2S
Chemical Name:
methyl4-methylsulfanylbenzoate
Synonyms:
4-MMTB;methyl 4-(methylthio)benzoate;methyl 4-methylsulfanylbenzoate;4-methylsulfanylbenzoic acid methyl ester;SCHEMBL749776;4-CH3S-C6H4-COOCH3;CTK4H9068;DTXSID60191387

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Description

White Solid

methyl4-methylsulfanylbenzoate Basic Attributes

Molecular Weight：

182.23900

Exact Mass：

182.04000

DSSTox ID：

DTXSID60191387

HScode：

2930909090

Characteristics

PSA：

51.60000

XLogP3：

2.19510

Density：

1.16g/cm3

Melting Point：

79-81ºC

Boiling Point：

279.1ºC at 760mmHg

Flash Point：

128.8ºC

Refractive Index：

1.558

Safety Information

wgk germany：

Marks：

Stability/Shelf Life：

Store in Freezer, Sensitive to Oxidation

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

4-MMTB

methyl4-methylsulfanylbenzoate Use and Manufacturing

methyl 4-methylsulfanylbenzoate canbe used as a useful synthetic intermediate.

Computed Properties

Molecular Weight:182.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 3-methylbutanal; poly methyl acrylate; nitrohydrochloric acid; cl2o7; perindopril; chlorous acid formula

Guide of methyl4-methylsulfanylbenzoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

methyl4-methylsulfanylbenzoate

SDS

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