2-Thiophenemethanol, 4,5-dichloro-alpha-(((1-methylethyl)amino)methyl)-
Basic information
- CAS
38450-47-4- Standard SMILES
CC(C)NCC(O)c1cc(Cl)c(Cl)s1- InChIKey
ODIXQEOGUCVTLK-UHFFFAOYSA-N- Molecular formula
- C9H13Cl2NOS
- Average molar mass
- 254.18 g/mol
- Monoisotopic mass
- 253.0094906
Names & identifiers
- Preferred name
- 2-Thiophenemethanol, 4,5-dichloro-alpha-(((1-methylethyl)amino)methyl)-
- IUPAC
- 1-(4,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
Names & synonyms
QM-5229BRN 131168638450-47-44,5-Dichloro-alpha-(((1-methylethyl)amino)methyl)-2-thiophenemethanol2-Thiophenemethanol, 4,5-dichloro-alpha-(((1-methylethyl)amino)methyl)-RefChem:267380DTXSID709593391-(4,5-Dichlorothiophen-2-yl)-2-[(propan-2-yl)amino]ethan-1-ol
Database identifiers
- CAS
38450-47-4- PubChem CID
- 217281
- DTXSID
DTXSID70959339
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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