Basic information
- CAS
31593-52-9- Standard SMILES
c1ccc(CC2SCCCS2)cc1- InChIKey
NBGQAPJQVZTDQE-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369245
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-dithiane
- IUPAC
- 2-benzyl-1,3-dithiane
Names & synonyms
2-Benzyl-1,3-dithiane31593-52-92-(phenylmethyl)-1,3-dithianeNSC174639benzyl(1,3-dithiane)1,3-Dithiane, 2-benzyl2-Benzyl-1,3-dithiane #2-Phenylmethyl-1,3-dithianeSCHEMBL3090521DTXSID30306209NSC-17463910.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N
Show more names
H42022doi:10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N
Database identifiers
- CAS
31593-52-9- PubChem CID
- 300291
- DTXSID
DTXSID30306209- Nikkaji
- J977.232D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Related reactions
4 records
Compound notes
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