CAS
96681-58-2 Purity
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96681-58-2 Purity
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Benzp-dinitride-thio-ketone
CAS
966837
Catalog Number
ACM966837
Category
Other Products
Molecular Formula
C15H11ClN2S
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Specification
Synonyms
Benzp-dinitride-thio-ketone;7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
What is the molecular formula of Benzp-dinitride-thio-ketone?
The molecular formula of Benzp-dinitride-thio-ketone is C15H11ClN2S.
What is the molecular weight of Benzp-dinitride-thio-ketone?
The molecular weight of Benzp-dinitride-thio-ketone is 286.8 g/mol.
What is the IUPAC name of Benzp-dinitride-thio-ketone?
The IUPAC name of Benzp-dinitride-thio-ketone is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione.
What is the InChI of Benzp-dinitride-thio-ketone?
The InChI of Benzp-dinitride-thio-ketone is InChI=1S/C15H11ClN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What is the InChIKey of Benzp-dinitride-thio-ketone?
The InChIKey of Benzp-dinitride-thio-ketone is ULILTJWAJZIROM-UHFFFAOYSA-N.
What is the canonical SMILES of Benzp-dinitride-thio-ketone?
The canonical SMILES of Benzp-dinitride-thio-ketone is C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3.
What is the CAS number of Benzp-dinitride-thio-ketone?
The CAS number of Benzp-dinitride-thio-ketone is 4547-02-8.
What is the XLogP3 value of Benzp-dinitride-thio-ketone?
The XLogP3 value of Benzp-dinitride-thio-ketone is 3.5.
How many hydrogen bond donor counts does Benzp-dinitride-thio-ketone have?
Benzp-dinitride-thio-ketone has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Benzp-dinitride-thio-ketone have?
Benzp-dinitride-thio-ketone has 2 hydrogen bond acceptor counts.
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CAS
96685-53-9 Purity
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96685-53-9 Purity
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