Basic information
- CAS
707535-33-9- Standard SMILES
CC(N)Cc1scc(Cl)c1Cl- InChIKey
HDNUSRFWALTWGS-UHFFFAOYSA-N- Molecular formula
- C7H9Cl2NS
- Average molar mass
- 210.12 g/mol
- Monoisotopic mass
- 208.9832759
Names & identifiers
- Preferred name
- 3,4-Dichloro-alpha-methyl-2-thiopheneethanamine
- IUPAC
- 1-(3,4-dichlorothiophen-2-yl)propan-2-amine
Names & synonyms
SE382P8U8I3,4-Dichloro-alpha-methyl-2-thiopheneethanamineUNII-SE382P8U8IEthylamine, 1-(3,4-dichloro-2-thenyl)-707535-33-92-Thiopheneethanamine, 3,4-dichloro-alpha-methyl-CHEMBL3303447Q272891613,4-DICHLORO-.ALPHA.-METHYL-2-THIOPHENEETHANAMINE2-THIOPHENEETHANAMINE, 3,4-DICHLORO-.ALPHA.-METHYL-
Database identifiers
- CAS
707535-33-9- PubChem CID
- 49896
- ChEMBL
CHEMBL3303447- UNII
- SE382P8U8I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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