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1,3-Dithiole-4-carboxylicacid,2-(1,3-dithiol-2-ylidene)-

1,3-Dithiole-4-carboxylicacid,2-(1,3-dithiol-2-ylidene)- structure

CAS No:
63822-38-8
Formula:
C7H4O2S4
Chemical Name:
1,3-Dithiole-4-carboxylicacid,2-(1,3-dithiol-2-ylidene)-
Synonyms:
1,3-Dithiole-4-carboxylic acid, 2-(1,3-dithiol-2-ylidene)-;tetrathiafulvalene-4-carboxylic acid

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1,3-Dithiole-4-carboxylicacid,2-(1,3-dithiol-2-ylidene)- Basic Attributes

Molecular Weight：

248.37

Exact Mass：

247.90941406

DSSTox ID：

DTXSID30448138

Characteristics

Density：

1.838±0.06 g/cm3

Melting Point：

182-184 °C (decomp)

Boiling Point：

318.5±42.0 °C(Predicted)

PKA：

2.66±0.20

Computed Properties

Molecular Weight:248.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:247.90941406
Monoisotopic Mass:247.90941406
Topological Polar Surface Area:139
Heavy Atom Count:13
Complexity:332
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Dithiole-4-carboxylicacid,2-(1,3-dithiol-2-ylidene)-

Basic Attributes
Characteristics
Computed Properties

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