Ethanol, 2-isopropylamino-1-(3,4,5-tribromo-2-thienyl)-
Basic information
- CAS
62673-61-4- Standard SMILES
CC(C)NCC(O)c1sc(Br)c(Br)c1Br- InChIKey
LDYWVDWAWNGERL-UHFFFAOYSA-N- Molecular formula
- C9H12Br3NOS
- Average molar mass
- 421.98 g/mol
- Monoisotopic mass
- 418.81897
Names & identifiers
- Preferred name
- Ethanol, 2-isopropylamino-1-(3,4,5-tribromo-2-thienyl)-
- IUPAC
- 2-(propan-2-ylamino)-1-(3,4,5-tribromothiophen-2-yl)ethanol
- English name
- 2-Isopropylamino-1-(3,4,5-tribromo-2-thienyl)ethanol
- Molecular formula
- C9H12Br3NOS
- Molecular weight
- 421.97
Names & synonyms
62673-61-42-Isopropylamino-1-(3,4,5-tribromo-2-thienyl)ethanolBRN 1376691alpha-(Isopropylaminomethyl)-3,4,5-tribromo-2-thiophenemethanol2-Thiophenemethanol, alpha-(isopropylaminomethyl)-3,4,5-tribromo-ETHANOL, 2-ISOPROPYLAMINO-1-(3,4,5-TRIBROMO-2-THIENYL)-RefChem:340944CHEMBL3248418DTXSID309782682-[(Propan-2-yl)amino]-1-(3,4,5-tribromothiophen-2-yl)ethan-1-olDB-3651672-Thiophenemethanol, 3,4,5-tribromo-α-[[(1-methylethyl)amino]methyl]-
Database identifiers
- CAS
62673-61-4- PubChem CID
- 44117
- DTXSID
DTXSID30978268- ChEMBL
CHEMBL3248418- Nikkaji
- J92.969G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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