dibutyl(chlorosulfanyl)amine

• ChemBase ID: 167007
• Molecular Formular: C8H18ClNS
• Molecular Mass: 195.75322
• Monoisotopic Mass: 195.08484826
• SMILES: C(CCN(CCCC)SCl)C
• Canonical SMILES: CCCCN(CCCC)SCl
• InChI: InChI=1S/C8H18ClNS/c1-3-5-7-10(11-9)8-6-4-2/h3-8H2,1-2H3
• InChIKey: BKFZQRHTZYGWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(chlorosulfanyl)amine
• IUPAC Traditional name: dibutyl(chlorosulfanyl)amine
• Synonyms: N,N-Dibutyl-amidosulfenyl Chloride; Dibutylaminosulfur Chloride; Dibutylamidosulfenyl chloride; Chloro Dibutylamino Sulfide; Di-N-butyl Amidosulfenyl Chloride

Database IDs

• CAS Number: 6541-82-8
• PubChem SID: 162261140
• PubChem CID: 81031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4327989
• LogD (pH = 7.4): 3.4328659
• Log P: 3.4328666
• Molar Refractivity: 53.5327 cm^3
• Polarizability: 21.907812 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Hexane; Methanol
• Apperance: Orange Oil

DETAILS

Toronto Research Chemicals - D429440

reagent used in the preparation of pesticides