Basic information
- CAS
114914-08-8- Standard SMILES
ClCCCSCc1ccco1- InChIKey
TYJRHUUAHUEMQQ-UHFFFAOYSA-N- Molecular formula
- C8H11ClOS
- Average molar mass
- 190.69 g/mol
- Monoisotopic mass
- 190.02191365
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Chloropropyl-2-furfurylsulfide
- IUPAC
- 2-(3-chloropropylsulfanylmethyl)furan
- English name
- 3-chloropropyl-2-furfurylsulfide
- Molecular formula
- C8H11ClOS
- Molecular weight
- 190.69
Names & synonyms
Clpfs114914-08-83-Chloropropyl-2-furfurylsulfideRefChem:935372-(((3-Chloropropyl)thio)methyl)furan3-Chloropropyl-2-furfuryl sulfideBRN 0116221FURAN, 2-(((3-CHLOROPROPYL)THIO)METHYL)-SCHEMBL7026346DTXSID20921541TYJRHUUAHUEMQQ-UHFFFAOYSA-N2-(3-chloropropylthiomethyl)-furan
Show more names
Furan, 2-[[(3-chloropropyl)thio]methyl]-
2-{[(3-chloropropyl)sulfanyl]methyl}furan4-17-00-01256 (Beilstein Handbook Reference)
Database identifiers
- CAS
114914-08-8- PubChem CID
- 60642
- DTXSID
DTXSID20921541
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 100
Related reactions
4 records
Compound notes
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