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7-Mercapto-4-methylcoumarin

7-Mercapto-4-methylcoumarin structure

CAS No:
137215-27-1
Formula:
C10H8O2S
Chemical Name:
7-Mercapto-4-methylcoumarin
Synonyms:
2H-1-Benzopyran-2-one,7-mercapto-4-methyl-;7-Mercapto-4-methyl-2H-1-benzopyran-2-one;7-Mercapto-4-methylcoumarin;7-Mercapto-4-methylbenzopyran-2-one

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7-Mercapto-4-methylcoumarin Basic Attributes

Molecular Weight：

192.23

Exact Mass：

192.23

DSSTox ID：

DTXSID10405608

HScode：

2932209090

Characteristics

PSA：

69.01000

XLogP3：

2.39010

Density：

1.301±0.06 g/cm3

Boiling Point：

356.5±37.0 °C(Predicted)

PKA：

5.03±0.20

Safety Information

wgk germany：

safety instructions：

22-24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

7-mercapto-4-methylcoumarin

Computed Properties

Molecular Weight:192.24
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:192.02450067
Monoisotopic Mass:192.02450067
Topological Polar Surface Area:27.3
Heavy Atom Count:13
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Mercapto-4-methylcoumarin

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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