5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine

• ChemBase ID: 309914
• Molecular Formular: C4H6ClN3S
• Molecular Mass: 163.62854
• Monoisotopic Mass: 162.99709589
• SMILES: n1c(nsc1Cl)N(C)C
• Canonical SMILES: Clc1snc(n1)N(C)C
• InChI: InChI=1S/C4H6ClN3S/c1-8(2)4-6-3(5)9-7-4/h1-2H3
• InChIKey: CUTXHPVVEVMARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
• IUPAC Traditional name: 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
• Synonyms: 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine

Database IDs

• MDL Number: MFCD21185967

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0338762
• LogD (pH = 7.4): 2.0338886
• Log P: 2.0338888
• Molar Refractivity: 40.4802 cm^3
• Polarizability: 14.204018 Å^3
• Polar Surface Area: 29.02 Å^2