Completing data — usually done within a minute
Basic information
- CAS
865187-83-3- Standard SMILES
ClCCc1sccc1CCl- InChIKey
VLKILARZRVMXJR-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2S
- Average molar mass
- 195.11 g/mol
- Monoisotopic mass
- 193.97237662
Names & identifiers
- Preferred name
- 2-(2-Chloroethyl)-3-chloromethylthiophene
- IUPAC
- 2-(2-chloroethyl)-3-(chloromethyl)thiophene
Names & synonyms
865187-83-3SCHEMBL5105908VLKILARZRVMXJR-UHFFFAOYSA-NDTXSID4012630712-(2-chloroethyl)-3-chloromethylthiophene2-(2-chloroethyl)-3-(chloromethyl)thiophene
Database identifiers
- CAS
865187-83-3- PubChem CID
- 69313345
- DTXSID
DTXSID401263071
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.6
Related reactions
1 records
Compound notes
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