bis(thiophen-2-ylmethyl)amine

• ChemBase ID: 248763
• Molecular Formular: C10H11NS2
• Molecular Mass: 209.33104
• Monoisotopic Mass: 209.03329136
• SMILES: s1c(ccc1)CNCc1sccc1
• Canonical SMILES: N(Cc1cccs1)Cc1cccs1
• InChI: InChI=1S/C10H11NS2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
• InChIKey: RPLOKUQDTWODSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: bis(thiophen-2-ylmethyl)amine
• Synonyms: N,N-bis(thien-2-ylmethyl)amine

Database IDs

• CAS Number: 58703-21-2
• MDL Number: MFCD01760897
• PubChem SID: 164304673
• PubChem CID: 252453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39844048
• LogD (pH = 7.4): 2.1119902
• Log P: 3.0818305
• Molar Refractivity: 57.6984 cm^3
• Polarizability: 22.427538 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.96

Product Information

• Purity: 95%