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1235439-63-0 | 1-({1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}sulfanyl)-N,N-dimethylformamide
CAS No: 1235439-63-0 Catalog No: AG01A86R MDL No:MFCD16040007
Product Description
Catalog Number:
AG01A86R
Chemical Name:
1-({1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}sulfanyl)-N,N-dimethylformamide
CAS Number:
1235439-63-0
Molecular Formula:
C11H14N4OS
Molecular Weight:
250.3201
MDL Number:
MFCD16040007
IUPAC Name:
S-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C11H14N4OS/c1-7-9-5-8(17-11(16)14(2)3)6-12-10(9)15(4)13-7/h5-6H,1-4H3
InChI Key:
FUABDTDDLQNZNM-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1cnc2c(c1)c(C)nn2C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.32g/mol
Monoisotopic Mass:
250.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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