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Thiourea, N-methyl-N'-[2-(4-nitrophenyl)-1,3-dithian-5-yl]-, trans-
SpectraBase Compound ID 1FYn7k4fHCp
InChI InChI=1S/C12H15N3O2S3/c1-13-12(18)14-9-6-19-11(20-7-9)8-2-4-10(5-3-8)15(16)17/h2-5,9,11H,6-7H2,1H3,(H2,13,14,18)/t9-,11+
InChIKey RGVADQIYMWEMRO-JGZJWPJOSA-N
Mol Weight 329.45 g/mol
Molecular Formula C12H15N3O2S3
Exact Mass 329.03264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcgWzIHjmEs
Name Thiourea, N-methyl-N'-[2-(4-nitrophenyl)-1,3-dithian-5-yl]-, trans-
CAS Registry Number 95631-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2S3
InChI InChI=1S/C12H15N3O2S3/c1-13-12(18)14-9-6-19-11(20-7-9)8-2-4-10(5-3-8)15(16)17/h2-5,9,11H,6-7H2,1H3,(H2,13,14,18)/t9-,11+
InChIKey RGVADQIYMWEMRO-JGZJWPJOSA-N
Molecular Weight 329.451 g/mol
SMILES N(C(=S)NC)[C@]1(CS[C@](SC1)(c1ccc(N(=O)=O)cc1)[H])[H]
SPLASH splash10-016v-9771000000-4cab3b9ccf31883cb0e5
Source of Spectrum H-67-1838-0
Synonyms 1,3-Dithiane, thiourea deriv. 1-Methyl-3-[cis-2-(p-nitrophenyl)-1,3-dithian-5-yl]-2-thiourea N-methyl-N'-[2-(4-nitrophenyl)-1,3-dithian-5-yl]thiourea
Wiley ID 1326920