CAS 138564-60-0 manufacturers and suppliers on PharmaCompass

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Also known as:
Molecular Formula
C12H12ClN3S
Molecular Weight
265.76  g/mol
InChI Key
FYWKZVBFQWWTHT-UHFFFAOYSA-N

CAS 138564-60-0
1 2D Structure

CAS 138564-60-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-amine;hydrochloride
2.1.2 InChI
InChI=1S/C12H11N3S.ClH/c1-7-6-8-11(13)14-9-4-2-3-5-10(9)15-12(8)16-7;/h2-6,14H,13H2,1H3;1H
2.1.3 InChI Key
FYWKZVBFQWWTHT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N.Cl
2.1.5 Isomeric SMILES
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N.Cl
2.2 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 265.76 g/mol
Molecular Formula C12H12ClN3S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass265.0440463 g/mol
Monoisotopic Mass265.0440463 g/mol
Topological Polar Surface Area75.7 A^2
Heavy Atom Count17
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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