Name: Name:3-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Brand: Angene
SKU: AG00030X
Rating: 90 (10 reviews)

3-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:

100859-88-9

Catalog Number:

AG00030X

Molecular Formula:

C6H5ClN4S

Molecular Weight:

200.6487

Catalog Number:

AG00030X

Chemical Name:

3-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

CAS Number:

100859-88-9

Molecular Formula:

C6H5ClN4S

Molecular Weight:

200.6487

MDL Number:

MFCD12407811

IUPAC Name:

3-chloro-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C6H5ClN4S/c1-12-6-8-2-3-4(7)10-11-5(3)9-6/h2H,1H3,(H,8,9,10,11)

InChI Key:

HXUMCGPDKBIKSQ-UHFFFAOYSA-N

SMILES:

CSc1ncc2c(n1)[nH]nc2Cl

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.644g/mol

Monoisotopic Mass:

199.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: