(2-methylthiolan-2-yl)methanamine

• ChemBase ID: 284251
• Molecular Formular: C6H13NS
• Molecular Mass: 131.23912
• Monoisotopic Mass: 131.07687042
• SMILES: S1C(CN)(C)CCC1
• Canonical SMILES: NCC1(C)CCCS1
• InChI: InChI=1S/C6H13NS/c1-6(5-7)3-2-4-8-6/h2-5,7H2,1H3
• InChIKey: YJPBMPPMCQRVHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylthiolan-2-yl)methanamine
• IUPAC Traditional name: (2-methylthiolan-2-yl)methanamine
• Synonyms: (2-methylthiolan-2-yl)methanamine

Database IDs

• MDL Number: MFCD22375436
• PubChem SID: 180669782
• PubChem CID: 72125031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2548316
• LogD (pH = 7.4): -1.5891675
• Log P: 0.75762504
• Molar Refractivity: 38.8877 cm^3
• Polarizability: 15.651041 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.112

Product Information

• Purity: 95%