Cas no 628-83-1 ((butylsulfanyl)carbonitrile)

(butylsulfanyl)carbonitrile structure
(butylsulfanyl)carbonitrile structure
Product Name:(butylsulfanyl)carbonitrile
CAS No:628-83-1
MF:C5H9NS
MW:115.196659803391
MDL:MFCD00039476
CID:39260
PubChem ID:12357
Update Time:2025-04-18

(butylsulfanyl)carbonitrile Chemical and Physical Properties

Names and Identifiers

    • butyl thiocyanate
    • 1-thiocyanatobutane
    • n-Butyl thiocyanate
    • Thiocyanic acid, butyl ester
    • 1-Thiocyanobutane
    • butylthiocarbonitrile
    • Butylthiocyanat
    • Butyrhodanid
    • n-Butyl rhodanate
    • Thiocyansaeure-butylester
    • Thiocyanic acid butyl ester
    • (butylsulfanyl)carbonitrile
    • NSC-1478
    • WLN: NCS4
    • UNII-Y19G61H3JY
    • HXNXAEYAXNPLHJ-UHFFFAOYSA-N
    • BRN 1098562
    • FT-0632659
    • Butylthiocyanate
    • AI3-28245
    • SCHEMBL3674142
    • EN300-19007
    • E80437
    • Q27294131
    • AKOS009028847
    • Butyrhodanid [German]
    • n-Butylthiocyanate
    • NSC 1478
    • DTXSID4060860
    • NSC1478
    • EINECS 211-056-2
    • 1-thiocyanato-butane
    • Butylthiokyanat [Czech]
    • BUTANE, 1-THIOCYANATO-
    • MFCD00039476
    • Butylthiokyanat
    • Y19G61H3JY
    • NORMAL-BUTYLTHIOCYANATE
    • 628-83-1
    • NS00035209
    • CS-0238108
    • 4-03-00-00329 (Beilstein Handbook Reference)
    • DB-054315
    • DTXCID0043553
    • 211-056-2
    • MDL: MFCD00039476
    • Inchi: 1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3
    • InChI Key: HXNXAEYAXNPLHJ-UHFFFAOYSA-N
    • SMILES: S(C#N)CCCC

Computed Properties

  • Exact Mass: 115.04600
  • Monoisotopic Mass: 115.04557
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 71.4
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 49.1

Experimental Properties

  • Density: 0,961 g/cm3
  • Melting Point: -59
  • Boiling Point: 180-183°C
  • Flash Point: 64.9 oC
  • Refractive Index: 1.4360 (estimate)
  • PSA: 49.09000
  • LogP: 2.00078

(butylsulfanyl)carbonitrile Security Information

  • Hazardous Material transportation number:UN 2810
  • Hazard Category Code: R22: harmful if swallowed.
  • Safety Instruction: S26-S36/37/39
  • Risk Phrases:R22; R32; R36
  • Safety Term:S26;S36/37/39
  • Storage Condition:The warehouse shall be ventilated and dried at low temperature, and stored separately from oxidants, acids and food additives

(butylsulfanyl)carbonitrile Pricemore >>

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