1,2-Dithiole

HCID 525331CAS 288-26-6
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Basic information

Standard SMILES
C1=CSSC1
InChIKey
PCGDBWLKAYKBTN-UHFFFAOYSA-N
Molecular formula
C3H4S2
Average molar mass
104.2 g/mol
Monoisotopic mass
103.97544247

Names & identifiers

Preferred name
1,2-Dithiole
IUPAC
3H-dithiole

Names & synonyms

1,2-dithiole1,2-Dithiolene3H-1,2-Dithiole3H-dithiole1,2-Dithiacyclopentene288-26-61,2-dithiolesRefChem:72046CHEBI:48859PCGDBWLKAYKBTN-UHFFFAOYSA-N3H-1,2-dithioleneNDY9U8RY64
Show more names
SCHEMBL22568SCHEMBL117642SCHEMBL117643SCHEMBL5178779SCHEMBL5231785SCHEMBL5464130SCHEMBL5670370DTXSID901031881

Database identifiers

CAS
288-26-6
PubChem CID
525331
DTXSID
DTXSID901031881
UNII
NDY9U8RY64
Nikkaji
J921.755J

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

Kovats Retention Index · 3 items

936；941

958.6；945

1490；1510；1513

Related reactions

6 records
New reaction record

Linked notes

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