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Also known as: 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2h-1,4-benzodiazepine-2-thione, 35628-48-9, Schembl7321391, Izykfszykiutte-uhfffaoysa-n, 5-(2-chlorophenyl)-7-nitro-3h-1,4-benzodiazepine-2(1h)-thione, 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2h-1,4-benzodiazepine-2-thione
Molecular Formula
C15H10ClN3O2S
Molecular Weight
331.8  g/mol
InChI Key
IZYKFSZYKIUTTE-UHFFFAOYSA-N

CAS 35628-48-9
1 2D Structure

CAS 35628-48-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione
2.1.2 InChI
InChI=1S/C15H10ClN3O2S/c16-12-4-2-1-3-10(12)15-11-7-9(19(20)21)5-6-13(11)18-14(22)8-17-15/h1-7H,8H2,(H,18,22)
2.1.3 InChI Key
IZYKFSZYKIUTTE-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2h-1,4-benzodiazepine-2-thione

2. 35628-48-9

3. Schembl7321391

4. Izykfszykiutte-uhfffaoysa-n

5. 5-(2-chlorophenyl)-7-nitro-3h-1,4-benzodiazepine-2(1h)-thione

6. 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2h-1,4-benzodiazepine-2-thione

7. 7-nitro-1,3-dihydro-5-(o-chlorophenyl)-2h-1,4-benzodiazepine-2-thione

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 331.8 g/mol
Molecular Formula C15H10ClN3O2S
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area102
Heavy Atom Count22
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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EUROAPI

France
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  • WHO-GMP

Virtual BoothEUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

7-nitro-1,3-dihydro-5-(2-chlorophenyl)-2H1,4-benzo...

CAS Number : 35628-48-9

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EUROAPI

EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

Nuray Chemicals Private L...

Nuray is an expert in the synthesis of Niche novel APIs, the first to launch Generics, NCEs, Advanced Intermediates // USFDA certified.

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