1-(thiophen-2-yl)propan-2-amine

• ChemBase ID: 17125
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(cccs1)CC(C)N
• Canonical SMILES: CC(Cc1cccs1)N
• InChI: InChI=1S/C7H11NS/c1-6(8)5-7-3-2-4-9-7/h2-4,6H,5,8H2,1H3
• InChIKey: NYVQQTOGYLBBDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)propan-2-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)propan-2-amine
• Synonyms: 1-(2-thienyl)propan-2-amine; 1-Methyl-2-thiophen-2-yl-ethylamine; [1-methyl-2-(2-thienyl)ethyl]amine; Thiopropamine; 1-methyl-2-thien-2-ylethylamine

Database IDs

• CAS Number: 30433-93-3
• MDL Number: MFCD07643219
• PubChem SID: 160980432
• PubChem CID: 6484133
• CHEMBL: 95500
• Chemspider ID: 4984575
• Wikipedia Title: Thiopropamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2941964
• LogD (pH = 7.4): -0.6108362
• Log P: 1.7171319
• Molar Refractivity: 40.7055 cm^3
• Polarizability: 15.945697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.892
• Hydrophobicity(logP): 1.388

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%