Basic information
- CAS
62673-50-1- Standard SMILES
CC(C)NCC(O)c1sc(Cl)c(Cl)c1Cl- InChIKey
PXPQLIZHBGJUCZ-UHFFFAOYSA-N- Molecular formula
- C9H12Cl3NOS
- Average molar mass
- 288.6 g/mol
- Monoisotopic mass
- 286.970518
Names & identifiers
- Preferred name
- Ethanol, 2-isopropylamino-1-(3,4,5-trichloro-2-thienyl)-
- IUPAC
- 2-(propan-2-ylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol
Names & synonyms
2-Isopropylamino-1-(3,4,5-trichloro-2-thienyl)ethanol62673-50-1alpha-(Isopropylaminomethyl)-3,4,5-trichloro-2-thiophenemethanol2-Thiophenemethanol, alpha-(isopropylaminomethyl)-3,4,5-trichloro-ETHANOL, 2-ISOPROPYLAMINO-1-(3,4,5-TRICHLORO-2-THIENYL)-RefChem:340945CHEMBL3248404DTXSID809782582-[(Propan-2-yl)amino]-1-(3,4,5-trichlorothiophen-2-yl)ethan-1-ol
Database identifiers
- CAS
62673-50-1- PubChem CID
- 44116
- DTXSID
DTXSID80978258- ChEMBL
CHEMBL3248404- Nikkaji
- J92.970K
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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