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71198-10-2 | Guanidine,N-[3-(4,5-dihydro-5-oxo-2-phenyl-4-thiazolyl)propyl]-
CAS No: 71198-10-2 Catalog No: AG005KCQ MDL No:
Product Description
Catalog Number:
AG005KCQ
Chemical Name:
Guanidine,N-[3-(4,5-dihydro-5-oxo-2-phenyl-4-thiazolyl)propyl]-
CAS Number:
71198-10-2
Molecular Formula:
C13H16N4OS
Molecular Weight:
276.3573
IUPAC Name:
2-[3-(5-oxo-2-phenyl-4H-1,3-thiazol-4-yl)propyl]guanidine
InChI:
InChI=1S/C13H16N4OS/c14-13(15)16-8-4-7-10-12(18)19-11(17-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H4,14,15,16)
InChI Key:
CPFBTAMIKHMXDS-UHFFFAOYSA-N
SMILES:
NC(=NCCCC1N=C(SC1=O)c1ccccc1)N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.358g/mol
Monoisotopic Mass:
276.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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