1,3-Dithiolan-2-ylmethanol
Basic information
- CAS
86032-47-5- Standard SMILES
OCC1SCCS1- InChIKey
KXTNLCIYSRHPAE-UHFFFAOYSA-N- Molecular formula
- C4H8OS2
- Average molar mass
- 136.2 g/mol
- Monoisotopic mass
- 136.00165722
Names & identifiers
- Preferred name
- 1,3-Dithiolan-2-ylmethanol
- IUPAC
- 1,3-dithiolan-2-ylmethanol
- English name
- 1,3-dithiolan-2-ylmethanol
- Molecular formula
- C4H8OS2
- Molecular weight
- 136.24
Names & synonyms
1,3-dithiolane-2-methanol1,3-dithiolan-2-ylmethanol86032-47-5DTXSID30307594RefChem:219154DTXCID00258721InChI=1/C4H8OS2/c5-3-4-6-1-2-7-4/h4-5H,1-3H(1,3-dithiolan-2-yl)methanolNSC193323SCHEMBL2230885SCHEMBL2902677NSC-193323
Database identifiers
- CAS
86032-47-5- PubChem CID
- 303692
- DTXSID
DTXSID30307594- Nikkaji
- J1.371.100C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.7
Chemistry & industry
Upstream & downstream products
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Compound notes
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