Basic information
- CAS
50363-43-4- Standard SMILES
CC1CSCS1- InChIKey
RCAGLIUGQCZIDE-UHFFFAOYSA-N- Molecular formula
- C4H8S2
- Average molar mass
- 120.2 g/mol
- Monoisotopic mass
- 120.0067426
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 4-methyl-
- IUPAC
- 4-methyl-1,3-dithiolane
Names & synonyms
4-Methyl-1,3-dithiolane1,3-DITHIOLANE, 4-METHYL-BRN 1361434DTXSID609646395-19-01-00047 (Beilstein Handbook Reference)RefChem:219202DTXCID201392331RCAGLIUGQCZIDE-UHFFFAOYSA-N50363-43-4SCHEMBL762663SCHEMBL1937860SCHEMBL10828972
Show more names
4-methyl-1,3-dithiacyclopentane
Database identifiers
- CAS
50363-43-4- PubChem CID
- 39655
- DTXSID
DTXSID60964639- Nikkaji
- J91.175E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 44.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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