1-Isothiocyanato-2-(methylsulfanyl)ethane

Base Information

• Chemical Name: 1-Isothiocyanato-2-(methylsulfanyl)ethane
• CAS No.: 4430-37-9
• Molecular Formula: C4H7NS2
• Molecular Weight: 133.238
• European Community (EC) Number: 844-156-5
• UNII: 5FU6H57DXN
• DSSTox Substance ID: DTXSID90468054
• Metabolomics Workbench ID: 48199
• Nikkaji Number: J2.362.125H

Synonyms:1-isothiocyanato-2-(methylsulfanyl)ethane;4430-37-9;1-isothiocyanato-2-methylsulfanylethane;1-Isothiocyanato-2-(methylthio)ethane;5FU6H57DXN;1-isothiocyanato-2-methylsulfanyl-ethane;Ethane, 1-isothiocyanato-2-(methylthio)-;2-Methylthioethyl isothiocyanate;Isothiocyanic acid, 2-(methylthio)ethyl ester;2-(Methylthio)ethyl isothiocyanate;(2-isothiocyanatoethyl)(methyl)sulfane;UNII-5FU6H57DXN;SCHEMBL10585683;DTXSID90468054;AKOS013282544;AT25553;EN300-115917

Chemical Property of 1-Isothiocyanato-2-(methylsulfanyl)ethane

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 133.00199157
• Heavy Atom Count: 7
• Complexity: 75.8

Purity/Quality:

95% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCN=C=S

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