N-methylthian-4-amine

• ChemBase ID: 309050
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: S1CCC(NC)CC1
• Canonical SMILES: CNC1CCSCC1
• InChI: InChI=1S/C6H13NS/c1-7-6-2-4-8-5-3-6/h6-7H,2-5H2,1H3
• InChIKey: ZPKZOGQAVBTWOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylthian-4-amine
• IUPAC Traditional name: N-methylthian-4-amine
• Synonyms: N-methyltetrahydro-2H-thiopyran-4-amine

Database IDs

• CAS Number: 220640-14-2
• MDL Number: MFCD12187236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5727122
• LogD (pH = 7.4): -2.1413143
• Log P: 0.65978175
• Molar Refractivity: 39.1465 cm^3
• Polarizability: 15.6485195 Å^3
• Polar Surface Area: 12.03 Å^2