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CAS Number: 4430-39-1
(6-isothiocyanatohexyl)(methyl)sulfane

Structure

(6-isothiocyanatohexyl)(methyl)sulfane
Name: (6-isothiocyanatohexyl)(methyl)sulfane
Synonyms:
General Information
Product Number: 4430391

CAS Registry Number 4430-39-1
Name:
Hexane, 1-?isothiocyanato-?6-?(methylthio)?-
Isothiocyanic acid, 6-(methylthio)hexyl ester (6CI,7CI,8CI)
6-Methylthiohexyl isothiocyanate
Lesquerellin

 

Chemical Formula: C8H15NS2
Exact Mass: 189.06
Molecular Weight: 189.34
m/z: 189.06 (100.0%), 191.06 (9.1%), 190.07 (8.8%), 190.06 (2.0%)

 

InChI:InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3

InChI Key:YIBXPFAXPUDDTK-UHFFFAOYSA-N

Canonical SMILES:CSCCCCCCN=C=S

Specification

98%

References
  1. (1) Kjaer, Anders; Acta Chemica Scandinavica 1957, V11, P1298-1307 CAPLUS
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