Basic information
- CAS
14063-83-3- Standard SMILES
O=CC1=C(Cl)c2ccccc2SC1- InChIKey
DADSQEKJVIEJHZ-UHFFFAOYSA-N- Molecular formula
- C10H7ClOS
- Average molar mass
- 210.68 g/mol
- Monoisotopic mass
- 209.9906137
Names & identifiers
- Preferred name
- 4-chloro-2H-1-benzothiopyran-3-carboxaldehyde
- IUPAC
- 4-chloro-2H-thiochromene-3-carbaldehyde
- English name
- 4-chloro-2H-1-benzothiopyran-3-carboxaldehyde
- Molecular formula
- C10H7ClOS
- Molecular weight
- 210.68
Names & synonyms
14063-83-34-Chloro-2H-1-benzothiopyran-3-carboxaldehydeEINECS 237-910-4DTXSID70161450NSC 108688RefChem:98406DTXCID2083941237-910-44-chloro-2h-thiochromene-3-carbaldehyde4-chloro-2h-1-benzothiopyran-3-carbaldehydeNSC1086882H-1-Benzothiopyran-3-carboxaldehyde,4-chloro-
Show more names
2H-1-Benzothiopyran-3-carboxaldehyde, 4-chloro-
SCHEMBL141287674-chloro-3-formyl-thiochrom-3-eneMFCD00831198SBB079120AKOS005169855NSC-108688SY3888904-chloro-2H-benzo[e]thiin-3-carbaldehyde
Database identifiers
- CAS
14063-83-3- PubChem CID
- 84181
- DTXSID
DTXSID70161450- EC Number
- 237-910-4
- Nikkaji
- J216.846D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 350.8 · 350.8±42.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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