Basic information
- CAS
89047-48-3- Standard SMILES
O=c1cc(-c2cccs2)ss1- InChIKey
CCYIDDHTAZJCIY-UHFFFAOYSA-N- Molecular formula
- C7H4OS3
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 199.94242827
Names & identifiers
- Preferred name
- 5-(2-Thienyl)-3H-1,2-dithiol-3-one
- IUPAC
- 5-thiophen-2-yldithiol-3-one
Names & synonyms
5-(2-Thienyl)-3H-1,2-dithiol-3-one89047-48-3U3I4D9QQ5QNSC 18534UNII-U3I4D9QQ5QNSC 185347NSC-185347DTXSID80237498NSC-185343H-1,2-Dithiol-3-one, 5-(2-thienyl)-RefChem:101632DTXCID80159989
Show more names
NSC1853475-(thiophen-2-yl)-3H-1,2-dithiol-3-one5-(2-thienyl)dithiol-3-one
Database identifiers
- CAS
89047-48-3- PubChem CID
- 302255
- DTXSID
DTXSID80237498- UNII
- U3I4D9QQ5Q
- Nikkaji
- J402.899F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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