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81410-98-2 | 5H-Thiazolo[3,2-a]pyrimidine-3,5(2H)-dione, 2,2-dimethyl-, 3-oxime
CAS No: 81410-98-2 Catalog No: AG008MEL MDL No:
Product Description
Catalog Number:
AG008MEL
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidine-3,5(2H)-dione, 2,2-dimethyl-, 3-oxime
CAS Number:
81410-98-2
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
IUPAC Name:
3-hydroxyimino-2,2-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C8H9N3O2S/c1-8(2)6(10-13)11-5(12)3-4-9-7(11)14-8/h3-4,13H,1-2H3
InChI Key:
DHVOORSKQSEAKY-UHFFFAOYSA-N
SMILES:
ON=C1n2c(=O)ccnc2SC1(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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