Basic information
- CAS
70895-45-3- Standard SMILES
CCCCCCCCNCC(O)COc1ccc(SC(C)C)cc1- InChIKey
ZAPDURRCHSKKKK-UHFFFAOYSA-N- Molecular formula
- C20H35NO2S
- Average molar mass
- 353.6 g/mol
- Monoisotopic mass
- 353.23885053
Overview
See also: Tipropidil Hydrochloride (active moiety of).
Names & identifiers
- Preferred name
- Tipropidil
- IUPAC
- 1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol
- English name
- Tipropidil
- Molecular formula
- C20H35NO2S
- Molecular weight
- 353.56
Names & synonyms
Tipropidil70895-45-3Tipropidilum007QF56M4D2-Propanol, 1-(4-((1-methylethyl)thio)phenoxy)-3-(octylamino)-1-(4-(1-methylethyl)thiophenoxy-3-(octylamino))-2-propanolRefChem:190115Tipropidil [INN]1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol2-Propanol,1-[4-[(1-methylethyl)thio]phenoxy]-3-(octylamino)-1-[4-[(1-Methylethyl)thio]phenoxy]-3-(octylamino)-2-propanolTipropidilum [INN-Latin]
Show more names
1-[4-(Isopropylthio)phenoxy]-3-octylamino-2-propanol2-Propanol, 1-[4-[(1-methylethyl)thio]phenoxy]-3-(octylamino)-
UNII-007QF56M4Dorb2815159SCHEMBL1345621CHEMBL2111005DTXSID50867963NS00127118T202551Q27231332
Database identifiers
- CAS
70895-45-3- PubChem CID
- 72176
- DTXSID
DTXSID50867963- ChEMBL
CHEMBL2111005- UNII
- 007QF56M4D
- Nikkaji
- J20.511G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- FDA UNII
- 7 QF56M4D · 007QF56M4D
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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