For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Thiourea, N-[2-(4-chlorophenyl)-1,3-dithian-5-yl]-N'-methyl-, cis-
SpectraBase Compound ID LGxhm5oXSd5
InChI InChI=1S/C12H15ClN2S3/c1-14-12(16)15-10-6-17-11(18-7-10)8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3,(H2,14,15,16)/t10-,11+
InChIKey MKRWBDQJZDONAY-PHIMTYICSA-N
Mol Weight 318.9 g/mol
Molecular Formula C12H15ClN2S3
Exact Mass 318.00859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ewgHfJELGU
Name Thiourea, N-[2-(4-chlorophenyl)-1,3-dithian-5-yl]-N'-methyl-, cis-
CAS Registry Number 95631-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClN2S3
InChI InChI=1S/C12H15ClN2S3/c1-14-12(16)15-10-6-17-11(18-7-10)8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3,(H2,14,15,16)/t10-,11+
InChIKey MKRWBDQJZDONAY-PHIMTYICSA-N
Molecular Weight 318.899 g/mol
SMILES N(C(=S)NC)[C@]1(CS[C@](SC1)(c1ccc(cc1)Cl)[H])[H]
SPLASH splash10-0aou-5921000000-83c0db092ec100cf6f2b
Source of Spectrum H-67-1837-0
Synonyms 1,3-Dithiane, thiourea deriv. 1-[cis-2-(p-chlorophenyl)-1,3-dithian-5-yl]-3-methyl-2-thiourea N-[2-(4-chlorophenyl)-1,3-dithian-5-yl]-N'-methylthiourea
Wiley ID 1317992