| SpectraBase Spectrum ID |
LoxRe7HYd2H |
| Name |
1-Isothiocyanato-4-(methylthio)butane |
| CAS Registry Number |
4430-36-8 |
| Classification |
Isothiocyanates |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
161.033291706 u |
| Formula |
C6H11NS2 |
| InChI |
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3 |
| InChIKey |
IHQDGXUYTSZGOG-UHFFFAOYSA-N |
| Molecular Weight |
161.281 g/mol |
| Number of Peaks |
18 |
| SMILES |
C(CCCSC)N=C=S |
| SPLASH |
splash10-03xr-9300000000-058bd2e0bf3d32dd9a3b |
| Source of Spectrum |
FF-18-150-150_10 (DOI: 10.1002/ffj.1163) |
| Synonyms |
4-(Methylthio)butyl isothiocyanate
1-Isothiocyanato-4-(methylsulfanyl)butane
1-Isothiocyanato-4-methylsulfanylbutane
Butane, 1-isothiocyanato-4-(methylthio)-
Isothiocyanic acid, 4-(methylthio)butyl ester
(4-Isothiocyanatobutyl)(methyl)sulfane
1-Isothiocyanato-4-methylsulfanyl-butane |
| Wiley ID |
1775327 |
