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81530-32-7 | 7-CYCLOHEXYL-2,3,6,7-TETRAHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
CAS No: 81530-32-7 Catalog No: AG005294 MDL No:
Product Description
Catalog Number:
AG005294
Chemical Name:
7-CYCLOHEXYL-2,3,6,7-TETRAHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
CAS Number:
81530-32-7
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
IUPAC Name:
7-cyclohexyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C12H18N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h9-10H,1-8H2
InChI Key:
QRSWMLKBXYRXBE-UHFFFAOYSA-N
SMILES:
O=C1CC(N=C2N1CCS2)C1CCCCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.349g/mol
Monoisotopic Mass:
238.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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