Cas no 542-85-8 (isothiocyanatoethane)

isothiocyanatoethane structure
isothiocyanatoethane structure
Product Name:isothiocyanatoethane
CAS No:542-85-8
MF:C3H5NS
MW:87.1434991359711
MDL:MFCD00004820
CID:82481
PubChem ID:10966
Update Time:2025-04-18

isothiocyanatoethane Chemical and Physical Properties

Names and Identifiers

    • Ethyl isothiocyanate
    • Isothiocyanatoethane
    • Ethane, isothiocyanato-
    • C3H5NS
    • Isothiocyanic Acid Ethyl Ester
    • Ethyl mustard oil
    • ETHYLISOTHIOCYANATE
    • Isothiocyanic acid, ethyl ester
    • HBNYJWAFDZLWRS-UHFFFAOYSA-N
    • 3284MJ2T8P
    • Ethyl isothiocyanate, 96%
    • Ethyl isothiocyanate, 97%
    • ethylisothio-cyanate
    • isothiocyanato-ethane
    • 1-Isothiocyanatoethane #
    • KSC271I7D
    • isothiocyanatoethane
    • MDL： MFCD00004820
    • Inchi： 1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
    • InChI Key： HBNYJWAFDZLWRS-UHFFFAOYSA-N
    • SMILES： S=C=NCC
    • BRN： 1737705

Computed Properties

  • Exact Mass: 87.01430
  • Monoisotopic Mass: 87.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 1
  • Complexity: 53.9
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 44.4

Experimental Properties

  • Color/Form: Colorless oily liquid with pungent smell. [1]
  • Density: 0.995?g/mL?at 25?°C(lit.)
  • Melting Point: ?6?°C (lit.)
  • Boiling Point: 132°C
  • Flash Point: Fahrenheit: 75.2 ° f
    Celsius: 24 ° c
  • Refractive Index: n20/D 1.512(lit.)
  • PH: 6.3 (H2O, 20℃)
  • Water Partition Coefficient: Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.
  • PSA: 44.45000
  • LogP: 1.10910
  • Merck: 3815
  • Sensitiveness: Moisture Sensitive
  • FEMA: 4420 | ETHYL ISOTHIOCYANATE
  • Solubility: Insoluble in water, soluble in ethanol [9]

isothiocyanatoethane Security Information

isothiocyanatoethane 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%

isothiocyanatoethane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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 ￥2551.8 2023-11-09

isothiocyanatoethane Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:542-85-8)isothiocyanatoethane
Order Number:A1202926
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:49
Price ($):164.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:542-85-8)Ethyl Isothiocyanate
Order Number:LE14195
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:10
Price ($):discuss personally

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:542-85-8)isothiocyanatoethane
A1202926
Purity:99%
Quantity:500g
Price ($):164.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:542-85-8)Ethyl Isothiocyanate
LE14195
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email