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Home > Pyridines > 1797349-62-2
1797349-62-2 | {1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}thiourea
CAS No: 1797349-62-2 Catalog No: AG00IR6D MDL No:MFCD27924225
Product Description
Catalog Number:
AG00IR6D
Chemical Name:
{1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}thiourea
CAS Number:
1797349-62-2
Molecular Formula:
C10H13N5S
Molecular Weight:
235.3087
MDL Number:
MFCD27924225
IUPAC Name:
(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)thiourea
InChI:
InChI=1S/C10H13N5S/c1-5-4-6(2)12-9-7(5)8(13-10(11)16)14-15(9)3/h4H,1-3H3,(H3,11,13,14,16)
InChI Key:
WOOFEBQMHLWXJX-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nn(c2c1c(C)cc(n2)C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.309g/mol
Monoisotopic Mass:
235.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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