Home Other Building Blocks 2-{5,7-dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid

2-{5,7-dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid

CAS No.:
863668-01-3
Catalog Number:
AG019OI1
Molecular Formula:
C9H10N4O2S
Molecular Weight:
238.2663
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Product Description
Catalog Number:
AG019OI1
Chemical Name:
2-{5,7-dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
CAS Number:
863668-01-3
Molecular Formula:
C9H10N4O2S
Molecular Weight:
238.2663
MDL Number:
MFCD07339044
IUPAC Name:
2-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
InChI:
InChI=1S/C9H10N4O2S/c1-4-6(3-7(14)15)5(2)13-8(10-4)11-9(16)12-13/h3H2,1-2H3,(H,12,16)(H,14,15)
InChI Key:
HZSQLWMMMHMXGS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc2n(c1C)nc(n2)S
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.265g/mol
Monoisotopic Mass:
238.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties