Cas no 4430-36-8 (Erucin)

Erucin structure
Erucin structure
Product Name:Erucin
CAS No:4430-36-8
MF:C6H11NS2
MW:161.288238763809
CID:331796
PubChem ID:78160
Update Time:2025-04-19

Erucin Chemical and Physical Properties

Names and Identifiers

    • Butane,1-isothiocyanato-4-(methylthio)-
    • 4-(Methylthiol)-1-(isothiocyanato)butane
    • 1-isothiocyanato-4-methylsulfanylbutane
    • 4-(Methylthiol)-1-(i
    • Erucin
    • 1-isothiocyanato-4-methylthiobutane
    • 4-methylthiobutyl isothiocyanate
    • CHEBI:180130
    • Q27275769
    • CTE370DL3U
    • AR1G3839
    • 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE [FHFI]
    • 4-(Methylthio)butyl isothiocyanate
    • SCHEMBL435774
    • NS00122221
    • BDBM50104737
    • AT33616
    • Isothiocyanic acid, 4-(methylthio)butyl ester
    • FEMA NO. 4414
    • AKOS006278172
    • 1-isothiocyanato-4-(methylthio)-butane
    • 4430-36-8
    • (4-isothiocyanatobutyl)(methyl)sulfane
    • CCRIS9056
    • UNII-CTE370DL3U
    • Butane, 1-isothiocyanato-4-(methylthio)-
    • CCRIS-9056
    • CS-0081434
    • AR 1G3839
    • CCRIS 9056
    • E1455
    • CHEMBL2151143
    • 1-isothiocyanato-4-(methylsulfanyl)butane
    • DTXSID80196117
    • 1-isothiocyanato-4-methylsulanylbutane
    • FT-0672238
    • erucin;1-isothiocyanato-4-(methylthio)butane
    • AR-1G3839
    • HY-121323
    • DTXCID90118608
    • DA-49734
    • MFCD01656048
    • 1-Isothiocyanato-4-(methylsulphanyl)butane
    • 4-methyl thiobutyl isothiocyanate
    • CCRIS 9056(Erucin)?
    • Inchi: 1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
    • InChI Key: IHQDGXUYTSZGOG-UHFFFAOYSA-N
    • SMILES: S(C)CCCCN=C=S

Computed Properties

  • Exact Mass: 161.03300
  • Monoisotopic Mass: 161.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 97.2
  • 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: 69.8A^2
  • XLogP3: 3

Experimental Properties

  • Density: 1.03
  • Boiling Point: 90-92°C/0.6 Torr
  • Flash Point: 105.4°C
  • Refractive Index: 1.53
  • PSA: 69.75000
  • LogP: 2.23240
  • FEMA: 4414 | 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE

Erucin 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%

Erucin Pricemore >>

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