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5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER

5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER structure

CAS No:
3354-38-9
Formula:
C6H7NO2S3
Chemical Name:
5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER
Synonyms:
5-amino-3-thioxo-3H-(1,2) dithiole-4-carboxylic acid ethyl ester;ACDT compound;Ethyl 5-amino-3-thioxo-3H-1,2-dithiole-4-carboxylate;NSC197049;5-Amino-3-thioxo-3H-(1,2)dithiole-4-carboxylic acid ethyl ester;MLS000756437;3H-1,2-Dithiole-4-carboxylicacid, 5-amino-3-thioxo-, ethyl ester;SMR000111860;ethyl 5-amino-3-thioxo-1,2-dithiolene-4-carboxylate;NSC 197049

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5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER Basic Attributes

Molecular Weight：

221.32

Exact Mass：

220.96400

UNII：

P8PWK68ZS7

NSC Number：

197049

DSSTox ID：

DTXSID10187194

HScode：

2930909090

Characteristics

PSA：

140.89000

XLogP3：

2.87920

Density：

1.54g/cm3

Melting Point：

183 °C

Boiling Point：

362.3ºC at 760mmHg

Flash Point：

172.9ºC

Refractive Index：

1.708

Drug Information

MeSH Entry Terms：

5-amino-3-thioxo-3H-(1,2) dithiole-4-carboxylic acid ethyl ester

Computed Properties

Molecular Weight:221.3
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:220.96389199
Monoisotopic Mass:220.96389199
Topological Polar Surface Area:135
Heavy Atom Count:12
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER

Basic Attributes
Characteristics
Drug Information
Computed Properties

5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLICACIDETHYLESTER

SDS

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