Basic information
- Standard SMILES
C=CCOC(=S)Cl- InChIKey
ZCAHXQISLPBIGZ-UHFFFAOYSA-N- Molecular formula
- C4H5ClOS
- Average molar mass
- 136.6 g/mol
- Monoisotopic mass
- 135.9749636
Names & identifiers
- Preferred name
- Chlorothioformic acid allyl ester
- IUPAC
- O-prop-2-enyl chloromethanethioate
Names & synonyms
chlorothioformic acid allyl esterSCHEMBL2492288ZCAHXQISLPBIGZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 15467004
- Nikkaji
- J1.191.605H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81
Related reactions
1 records
Compound notes
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