Basic information
- CAS
64036-44-8- Standard SMILES
Clc1cc2ccccc2s1- InChIKey
CPYLFALFYKCLRI-UHFFFAOYSA-N- Molecular formula
- C8H5ClS
- Average molar mass
- 168.64 g/mol
- Monoisotopic mass
- 167.980049
Names & identifiers
- Preferred name
- Benzo(b)thiophene, chloro-
- IUPAC
- 2-chloro-1-benzothiophene
Names & synonyms
Thianaphthene, chloro-BENZO(b)THIOPHENE, CHLORO-64036-44-8DTXSID70214016RefChem:326196DTXCID701365072-Chlorobenzo[b]thiophene2-chloro-1-benzothiophene7342-85-0Benzo[b]thiophene, 2-chloro-2-chlorobenzothiopheneSCHEMBL218556
Show more names
SCHEMBL686527SCHEMBL3816650SCHEMBL4308312SCHEMBL9692951SCHEMBL29604746MFCD01663567AKOS006277065HS-4293
Database identifiers
- CAS
64036-44-8- PubChem CID
- 46371
- DTXSID
DTXSID70214016- Nikkaji
- J385.827H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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