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3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE

3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE structure

CAS No:
3161-57-7
Formula:
C8H7NOS2
Chemical Name:
3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE
Synonyms:
3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE;3-(hydroxymethyl)-1,3-benzothiazole-2-thione;3-hydroxymethyl-3H-benzothiazole-2-thione;3-(Hydroxymethyl)benzo[d]thiazole-2(3H)-thione;Enamine_001070;SCHEMBL8079249;HMS1397A14;ZINC404880;AKOS002663071;MCULE-7759572331

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3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE Basic Attributes

Molecular Weight：

197.27700

Exact Mass：

196.99700

HScode：

2934999090

Characteristics

PSA：

85.49000

XLogP3：

2.38210

Density：

1.55±0.1 g/cm3(Predicted)

Melting Point：

128-130 °C

Computed Properties

Molecular Weight:197.3
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:196.99690619
Monoisotopic Mass:196.99690619
Topological Polar Surface Area:80.9
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE

Basic Attributes
Characteristics
Computed Properties

3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE

SDS

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