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5-methyl-3H-1,3-benzothiazole-2-thione

5-methyl-3H-1,3-benzothiazole-2-thione structure

CAS No:
21303-50-4
Formula:
C8H7NS2
Chemical Name:
5-methyl-3H-1,3-benzothiazole-2-thione
Synonyms:
5-METHYLBENZO[D]THIAZOLE-2-THIOL; 5-methyl-2-mercaptobenzothiazole; 5-Methyl-3H-benzothiazol-2-thion; FC0634; 2(3H)-Benzothiazolethione, 5-methyl-; 5-methyl-3H-benzothiazole-2-thione; 2(3H)-Benzothiazolethione,5-methyl; 5-Methyl-benzothiazolin-2-thion;Expand

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5-methyl-3H-1,3-benzothiazole-2-thione Basic Attributes

Molecular Weight：

181.27800

Exact Mass：

181.00199157

DSSTox ID：

DTXSID80437991

HScode：

2934999090

Characteristics

PSA：

79.93000

XLogP3：

2.89340

Density：

1.39g/cm3

Boiling Point：

314ºC

Flash Point：

144ºC

Refractive Index：

1.743

Vapor Pressure：

0.000464mmHg at 25°C

Computed Properties

Molecular Weight:181.3
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:181.00199157
Monoisotopic Mass:181.00199157
Topological Polar Surface Area:69.4
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-methyl-3H-1,3-benzothiazole-2-thione

Basic Attributes
Characteristics
Computed Properties

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