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1H-imidazol-5-ylmethanethiol

1H-imidazol-5-ylmethanethiol structure

CAS No:
20979-13-9
Formula:
C4H6N2S
Chemical Name:
1H-imidazol-5-ylmethanethiol
Synonyms:
1H-Imidazole-5-methanethiol;20979-13-9;1H-imidazol-5-ylmethanethiol;(1H-IMIDAZOL-4-YL)METHANETHIOL;4-mercaptomethylimidazole;1H-Imidazole-4-methanethiol;SCHEMBL453531;SCHEMBL9601467;DTXSID80332230;ZINC5889252;AKOS006381237;DB-066391;FT-0702912

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1H-imidazol-5-ylmethanethiol Basic Attributes

Molecular Weight：

114.17 g/mol

Exact Mass：

114.02516937 g/mol

DSSTox ID：

DTXSID80332230

Characteristics

PSA：

29.7 Å²

Computed Properties

Molecular Weight:114.17
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:114.02516937
Monoisotopic Mass:114.02516937
Topological Polar Surface Area:29.7
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-imidazol-5-ylmethanethiol

Basic Attributes
Characteristics
Computed Properties

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