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81530-27-0 | 5-OXO-7-PROPYL-2,3,6,7-TETRAHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINE
CAS No: 81530-27-0 Catalog No: AG005295 MDL No:
Product Description
Catalog Number:
AG005295
Chemical Name:
5-OXO-7-PROPYL-2,3,6,7-TETRAHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINE
CAS Number:
81530-27-0
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
IUPAC Name:
7-propyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C9H14N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h7H,2-6H2,1H3
InChI Key:
AQMZZOMMIKTLFH-UHFFFAOYSA-N
SMILES:
CCCC1CC(=O)N2C(=N1)SCC2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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