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824938-48-9 | Benzamide, N-(3-amino-3-oxopropyl)-2-mercapto-3-methyl-
CAS No: 824938-48-9 Catalog No: AG00509M MDL No:
Product Description
Catalog Number:
AG00509M
Chemical Name:
Benzamide, N-(3-amino-3-oxopropyl)-2-mercapto-3-methyl-
CAS Number:
824938-48-9
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
N-(3-amino-3-oxopropyl)-3-methyl-2-sulfanylbenzamide
InChI:
InChI=1S/C11H14N2O2S/c1-7-3-2-4-8(10(7)16)11(15)13-6-5-9(12)14/h2-4,16H,5-6H2,1H3,(H2,12,14)(H,13,15)
InChI Key:
LVBKSGGNLFHGRK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1S)C(=O)NCCC(=O)N
NSC Number:
725033
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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