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1,2-Dithiole-3-thione

1,2-Dithiole-3-thione structure

CAS No:
534-25-8
Formula:
C3H2S3
Chemical Name:
1,2-Dithiole-3-thione
Synonyms:
3H-1,2-Dithiole-3-thione;1,2-Dithiole-3-thione

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Description

Red Solid

Solid

3H-1,2-dithiole-3-thione is a 1,2-dithiole.

1,2-Dithiole-3-thione Basic Attributes

Molecular Weight：

134.24300

Exact Mass：

134.24

EC Number：

208-595-0

UNII：

WT2QF220RR

DSSTox ID：

DTXSID7037052

HScode：

2930909090

Characteristics

PSA：

88.57000

XLogP3：

2.53910

Appearance：

Solid

Density：

1.56 g/cm3

Melting Point：

82 °C

Boiling Point：

47 °C @ Press: 0.1 Torr

Flash Point：

96.2ºC

Refractive Index：

1.806

Water Solubility：

3957 mg/L @ 25 °C (est)

Collision Cross Section：

120.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

1,2-dithiol-3-thione

1,2-Dithiole-3-thione Use and Manufacturing

A chemoprotective chemical. It is known to induce detoxication enzymes and inhibit chemica-induced tumors in multiple tissues

Computed Properties

Molecular Weight:134.3
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Exact Mass:133.93186358
Monoisotopic Mass:133.93186358
Topological Polar Surface Area:82.7
Heavy Atom Count:6
Complexity:94.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Dithiole-3-thione

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

1,2-Dithiole-3-thione

SDS

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