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128978-14-3 | Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-
CAS No: 128978-14-3 Catalog No: AG000YQ7 MDL No:
Product Description
Catalog Number:
AG000YQ7
Chemical Name:
Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-
CAS Number:
128978-14-3
Molecular Formula:
C10H11N5OS
Molecular Weight:
249.2922
IUPAC Name:
N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]propanamide
InChI:
InChI=1S/C10H11N5OS/c1-2-9(16)11-7-4-3-5-8(6-7)15-10(17)12-13-14-15/h3-6H,2H2,1H3,(H,11,16)(H,12,14,17)
InChI Key:
MMVZXKVOIPGGQN-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.292g/mol
Monoisotopic Mass:
249.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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