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799295-98-0 | Isothiazolo[5,4-d]pyrimidin-4(3aH)-one, 3-methyl-6-propyl- (9CI)
CAS No: 799295-98-0 Catalog No: AG00GFFJ MDL No:
Product Description
Catalog Number:
AG00GFFJ
Chemical Name:
Isothiazolo[5,4-d]pyrimidin-4(3aH)-one, 3-methyl-6-propyl- (9CI)
CAS Number:
799295-98-0
IUPAC Name:
3-methyl-6-propyl-3aH-[1,2]thiazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C9H11N3OS/c1-3-4-6-10-8(13)7-5(2)12-14-9(7)11-6/h7H,3-4H2,1-2H3
InChI Key:
IVJSVFJCUZXEBZ-UHFFFAOYSA-N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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