Name: Name:1-benzyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
Brand: Angene
SKU: AG01A0NM
Rating: 90 (10 reviews)

1-benzyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol

CAS No.:

56156-23-1

Catalog Number:

AG01A0NM

Molecular Formula:

C12H10N4S

Molecular Weight:

242.2996

Catalog Number:

AG01A0NM

Chemical Name:

1-benzyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol

CAS Number:

56156-23-1

Molecular Formula:

C12H10N4S

Molecular Weight:

242.2996

MDL Number:

MFCD05668242

IUPAC Name:

1-benzyl-7H-pyrazolo[3,4-d]pyrimidine-4-thione

InChI:

InChI=1S/C12H10N4S/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17)

InChI Key:

SLCUJURZNGAVEX-UHFFFAOYSA-N

SMILES:

Sc1ncnc2c1cnn2Cc1ccccc1

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.3g/mol

Monoisotopic Mass:

242.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3