bis(2H9)butyl(chlorosulfanyl)amine

• ChemBase ID: 167008
• 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: bis(^2H₉)butyl(chlorosulfanyl)amine
• IUPAC Traditional name: bis(^2H₉)butyl(chlorosulfanyl)amine
• Synonyms: N,N-Dibutyl-amidosulfenyl-d18 Chloride; Dibutylaminosulfur-d18 Chloride; Dibutylamidosulfenyl-d18 chloride; Chloro Dibutylamino-d18 Sulfide; Di-N-butyl Amidosulfenyl Chloride-d18

Database IDs

• PubChem SID: 162261141
• PubChem CID: 46781248

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: 21.904799 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 - D429442

reagent used in the preparation of pesticides