Cas no 1613-46-3 (Butane, 1-(propylthio)-)

Butane, 1-(propylthio)- structure
Butane, 1-(propylthio)- structure
Product Name:Butane, 1-(propylthio)-
CAS No:1613-46-3
MF:C7H16S
MW:132.266941070557
CID:200752
PubChem ID:294861
Update Time:2025-04-19

Butane, 1-(propylthio)- Chemical and Physical Properties

Names and Identifiers

    • Butane, 1-(propylthio)-
    • 1-propylsulfanylbutane
    • N-BUTYL N-PROPYL SULFIDE
    • N-BUTYL N-PROPYL SULPHIDE
    • 1-propylsulfanyl-butane
    • 4-Thiaoctane
    • butyl-propyl sulfide
    • butyl-propyl-sulfane
    • Butyl-propyl-sulfid
    • Propyl butyl sulfide
    • Sulfide,butyl propyl
    • NSC163955
    • Sulfide, butyl propyl
    • AKOS024429095
    • 4-Thia-octan
    • EU0Z2TZ9Q0
    • butyl(propyl)sulfane
    • 1-(Propylsulfanyl)butane
    • 1-(Propylthio)butane
    • UNII-EU0Z2TZ9Q0
    • NSC 163955
    • NSC-163955
    • DTXSID30304028
    • ZBRWJPVULTZZCE-UHFFFAOYSA-N
    • Butyl propyl sulfide
    • SCHEMBL383816
    • 1613-46-3
    • FT-0633707
    • 1-(Propylsulfanyl)butane #
    • Inchi： 1S/C7H16S/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3
    • InChI Key： ZBRWJPVULTZZCE-UHFFFAOYSA-N
    • SMILES： S(CCC)CCCC

Computed Properties

  • Exact Mass: 132.09700
  • Monoisotopic Mass: 132.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 5
  • Complexity: 35.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.3A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3

Experimental Properties

  • Density: 0.8390
  • Melting Point: -66.8°C (estimate)
  • Boiling Point: 157.85°C
  • Flash Point: 52.8 °C
  • Refractive Index: 1.4317 (estimate)
  • PSA: 25.30000
  • LogP: 2.92970

Butane, 1-(propylthio)- Security Information

  • Safety Instruction： S23-S24/25
  • Safety Term：S23;S24/25
  • Risk Phrases：R10

Butane, 1-(propylthio)- Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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