Basic information
- CAS
1133-12-6- Standard SMILES
CCCNS(=O)(=O)c1ccc(C)cc1- InChIKey
FGTLUYQJKVPUHM-UHFFFAOYSA-N- Molecular formula
- C10H15NO2S
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.08234989
Names & identifiers
- Preferred name
- N-Propyl-p-toluenesulfonamide
- IUPAC
- 4-methyl-N-propylbenzenesulfonamide
- English name
- N-Propyl-P-Toluenesulfonamide
- Molecular formula
- C10H15NO2S
- Molecular weight
- 213.3
Names & synonyms
1133-12-6N-Propyl-p-toluenesulfonamidep-Toluenesulfonamide, N-propyl-RefChem:10920834-Methyl-n-propylbenzenesulfonamide4-methyl-N-propylbenzene-1-sulfonamideBenzenesulfonamide, 4-methyl-N-propyl-BRN 2107763AI3-30818NSC206125Cambridge id 51163520-11-00-00105 (Beilstein Handbook Reference)
Show more names
SCHEMBL634316SCHEMBL3728667SCHEMBL7108647SCHEMBL8789808SCHEMBL27671416DTXSID70921036BAA133124-Methyl-n-propylbenzenesulfonamide #
Database identifiers
- CAS
1133-12-6- PubChem CID
- 70808
- DTXSID
DTXSID70921036- Nikkaji
- J123.420J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 325.5 · 325.5±35.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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