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123229-16-3 | 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4,5-dimethyl-
CAS No: 123229-16-3 Catalog No: AG000K76 MDL No:
Product Description
Catalog Number:
AG000K76
Chemical Name:
2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4,5-dimethyl-
CAS Number:
123229-16-3
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
IUPAC Name:
4,5-dimethyl-3,4-dihydro-1H-1,5-benzodiazepine-2-thione
InChI:
InChI=1S/C11H14N2S/c1-8-7-11(14)12-9-5-3-4-6-10(9)13(8)2/h3-6,8H,7H2,1-2H3,(H,12,14)
InChI Key:
UNONRMLNOAUOFY-UHFFFAOYSA-N
SMILES:
S=C1Nc2ccccc2N(C(C1)C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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