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3-Thiophenecarbothioamide, 2,5-dimethyl-N-phenyl-
SpectraBase Compound ID 1Gi1Z8xB956
InChI InChI=1S/C13H13NS2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKey AQWDOEVKPHRPOU-UHFFFAOYSA-N
Mol Weight 247.37 g/mol
Molecular Formula C13H13NS2
Exact Mass 247.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGjnljoK3L
Name 3-Thiophenecarbothioamide, 2,5-dimethyl-N-phenyl-
Alternate Name(s) 2,5-Dimethyl-N-phenyl-3-thiophenecarbothioamide 3-Phenylamino-thixo-2,5-dimethyl-thiophene
CAS Registry Number 107366-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NS2
InChI InChI=1S/C13H13NS2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKey AQWDOEVKPHRPOU-UHFFFAOYSA-N
Molecular Weight 247.374 g/mol
SMILES N(C(c1c(sc(c1)C)C)=S)c1ccccc1
SPLASH splash10-08fs-0390000000-e13f419f033fb5ecaa3c
Source of Spectrum F-42-3686-0
Wiley ID 1249956