Basic information
- CAS
39516-21-7- Standard SMILES
c1ccc(SCCCNCCC(c2ccccc2)c2ccccc2)cc1- InChIKey
NUWWGCMQIKROIJ-UHFFFAOYSA-N- Molecular formula
- C24H27NS
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.18642104
Overview
Tiopropamine is a small molecule drug. Tiopropamine has a monoisotopic molecular weight of 361.19 Da.
Names & identifiers
- Preferred name
- Tiopropamine
- IUPAC
- 3,3-diphenyl-N-(3-phenylsulfanylpropyl)propan-1-amine
- English name
- Tiopropamine
- Molecular formula
- C24H27NS
- Molecular weight
- 361.54
Names & synonyms
Tiopropamine39516-21-7TiopropaminaTiopropamine [INN]TiopropaminumTiopropaminum [INN-Latin]Tiopropamina [INN-Spanish]UNII-E9584TMZ4ME9584TMZ4MDTXSID60192652Tiopropaminum (INN-Latin)Tiopropamina (INN-Spanish)
Show more names
thiopropamine1-(thiophen-2-yl)-2-aminopropane3,3-Diphenylpropyl-3-(phenylthio)propylamineBenzenepropanamine, γ-phenyl-N-[3-(phenylthio)propyl]-
RefChem:190092DTXCID001151433,3-diphenyl-N-(3-phenylsulfanylpropyl)propan-1-amineorb2565157SCHEMBL1812206CHEMBL21054593,3-Diphenyl-3'-(phenylthio)dipropylamineDS-017771
Database identifiers
- CAS
39516-21-7- PubChem CID
- 65812
- DTXSID
DTXSID60192652- ChEMBL
CHEMBL2105459- UNII
- E9584TMZ4M
- Nikkaji
- J16.868H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 520.4 · 520.4±50.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 10.02 · 10.02±0.19(Predicted)
- FDA UNII
- 9584 TMZ4M · E9584TMZ4M
Chemistry & industry
Applications
UsesTiopropamine is an anti-inflammatory agent, with potential effect on histamine receptor[1].
Suppliers5 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…