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698365-69-4

698365-69-4 | Oxazolo[5,4-d]pyrimidine-5(4H)-thione, 6-ethyl-6,7-dihydro-7-imino-2,4-dimethyl- (9CI)

CAS No: 698365-69-4 Catalog No: AG00G1ZU MDL No:

Product Description

Catalog Number:
AG00G1ZU
Chemical Name:
Oxazolo[5,4-d]pyrimidine-5(4H)-thione, 6-ethyl-6,7-dihydro-7-imino-2,4-dimethyl- (9CI)
CAS Number:
698365-69-4
IUPAC Name:
6-ethyl-7-imino-2,4-dimethyl-7aH-[1,3]oxazolo[5,4-d]pyrimidin-4-ium-5-thione
InChI:
InChI=1S/C9H13N4OS/c1-4-13-7(10)6-8(12(3)9(13)15)14-5(2)11-6/h6,10H,4H2,1-3H3/q+1
InChI Key:
GVPSRNCPIWWKBB-UHFFFAOYSA-N

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.081g/mol
Formal Charge:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.29g/mol
Monoisotopic Mass:
225.081g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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