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3,5-Dinitrobenzenecarbothioamide
SpectraBase Compound ID 8jgbxwMJlrm
InChI InChI=1S/C7H5N3O4S/c8-7(15)4-1-5(9(11)12)3-6(2-4)10(13)14/h1-3H,(H2,8,15)
InChIKey BMHGMJHFXHOFQU-UHFFFAOYSA-N
Mol Weight 227.19 g/mol
Molecular Formula C7H5N3O4S
Exact Mass 227.000077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NzfULClcmk
Name 3,5-Dinitrobenzenecarbothioamide
Alternate Name(s) 3,5-Dinitrothiobenzamide Benzenecarbothioamide, 3,5-dinitro-
CAS Registry Number 37773-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5N3O4S
InChI InChI=1S/C7H5N3O4S/c8-7(15)4-1-5(9(11)12)3-6(2-4)10(13)14/h1-3H,(H2,8,15)
InChIKey BMHGMJHFXHOFQU-UHFFFAOYSA-N
Molecular Weight 227.194 g/mol
SMILES NC(=S)c1cc(cc(c1)N(=O)=O)N(=O)=O
SPLASH splash10-02t9-7900000000-dfcf98aa4779cfac6dea
Wiley ID 1483371