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Home Aminos Propanamide,3-amino-N-(phenylmethyl)-3-thioxo-

Propanamide,3-amino-N-(phenylmethyl)-3-thioxo-

CAS No.:
102817-84-5
Catalog Number:
AG007J63
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
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Product Description
Catalog Number:
AG007J63
Chemical Name:
Propanamide,3-amino-N-(phenylmethyl)-3-thioxo-
CAS Number:
102817-84-5
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD04606717
IUPAC Name:
3-amino-N-benzyl-3-sulfanylidenepropanamide
InChI:
InChI=1S/C10H12N2OS/c11-9(14)6-10(13)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H,12,13)
InChI Key:
AEUIMRBUFSIIFH-UHFFFAOYSA-N
SMILES:
O=C(CC(=S)N)NCc1ccccc1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties