5-(Methylthio)pentyl isothiocyanate

  • Định danh

    Số CAS
    4430-42-6

    Công thức phân tử
    C7H13NS2

    SMILES
    CSCCCCCN=C=S

    Chỉ số lưu (RI)

    • DB5: 1554.0
    • Carbowax: 2242.0

  • Hồ sơ mùi hương

    hăng 71.9%
    củ cải 63.54%
    bắp cải 51.05%
    ngọt 46.46%
    rau củ 45.67%
    lưu huỳnh 45.13%
    béo 43.06%
    hành 38.35%
    tỏi 36.89%
    kim loại 35.45%

    Scent© AI

  • Thuộc tính

    XLogP3-AA
    3.3 Tan tốt trong BB, DEP, MMB

    Khối lượng phân tử
    175.3 g/mol

    Độ tan

    • Very slightly soluble in water; freely soluble in ether
    • Soluble (in ethanol)

  • Các tên gọi

    • Berteroin
    • 4430-42-6
    • 5-Methylthiopentyl isothiocyanate
    • 1-isothiocyanato-5-methylsulfanylpentane
    • Pentane, 1-isothiocyanato-5-(methylthio)-
    • (5-Isothiocyanatopentyl)(methyl)sulfane
    • 5-(Methylthio)pentyl isothiocyanate
    • UNII-0L0K74BW6T
    • 0L0K74BW6T
    • 1-isothiocyanato-5-(methylsulfanyl)pentane
    • CHEMBL3593947
    • FEMA NO. 4416
    • Isothiocyanic acid, 5-(methylthio)pentyl ester
    • DTXSID00196119
    • 5-(Methylthio)pentyl isothiocyante
    • 1-Isothiocyanato-5-(methylthio)-Pentane
    • 1-ISOTHIOCYANATO-5-(METHYLTHIO)PENTANE
    • 5-(METHYLTHIO)PENTYL ISOTHIOCYANTE [FHFI]
    • 5-methyl thiopentyl isothiocyanate
    • SCHEMBL1020887
    • DTXCID60118610
    • CHEBI:173803
    • BDBM50104729
    • AKOS006274698
    • 1-isothiocyanato-5-methylsulanylpentane
    • 1-Isothiocyanato-5-(methylsulphanyl)pentane
    • DB-219578
    • HY-121076
    • CS-0079418
    • NS00121839
    • Q27236919
1 4

Thực vật

Tên CAS Thực vật Tỷ lệ
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.3%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.17%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 9.3%