1,3-Dithiolane, 4-(chloromethyl)-2-phenyl-
Basic information
- CAS
41159-21-1- Standard SMILES
ClCC1CSC(c2ccccc2)S1- InChIKey
MFVFSZKLKWPPDJ-UHFFFAOYSA-N- Molecular formula
- C10H11ClS2
- Average molar mass
- 230.8 g/mol
- Monoisotopic mass
- 229.9990704
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 4-(chloromethyl)-2-phenyl-
- IUPAC
- 4-(chloromethyl)-2-phenyl-1,3-dithiolane
Names & synonyms
4-(Chloromethyl)-2-phenyl-1,3-dithiolane1,3-DITHIOLANE, 4-(CHLOROMETHYL)-2-PHENYL-DTXSID80961468RefChem:219201DTXCID20138929341159-21-1
Database identifiers
- CAS
41159-21-1- PubChem CID
- 38776
- DTXSID
DTXSID80961468- Nikkaji
- J91.143G
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 157
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Compound notes
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