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6-methyl-3H-1,3-benzoxazole-2-thione

6-methyl-3H-1,3-benzoxazole-2-thione structure

CAS No:
23417-29-0
Formula:
C8H7NOS
Chemical Name:
6-methyl-3H-1,3-benzoxazole-2-thione
Synonyms:
6-methylbenzoxazole-2-thiol; 6-methyl-benzooxazole-2-thiol; HMS1667P02; 6-methyl-3H-benzooxazole-2-thione; 6-methyl-2-mercaptobenzoxazole; 2-mercapto-6-methylbenzoxazole;Expand

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6-methyl-3H-1,3-benzoxazole-2-thione Basic Attributes

Molecular Weight：

165.21200

Exact Mass：

165.02483502 g/mol

NSC Number：

332173

DSSTox ID：

DTXSID40359443

Characteristics

PSA：

61.02000

XLogP3：

2.79880

Density：

1.34g/cm3

Boiling Point：

275ºC

Flash Point：

117.4ºC

Refractive Index：

1.682

Vapor Pressure：

0.00681mmHg at 25°C

Safety Information

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, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:165.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:53.4
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-methyl-3H-1,3-benzoxazole-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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