200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1289139-31-6
1289139-31-6 | 1H-Pyrazolo[4,3-d]pyriMidine, 7-chloro-3-(1-Methylethyl)-5-(Methylthio)-
CAS No: 1289139-31-6 Catalog No: AG000YIB MDL No:
Product Description
Catalog Number:
AG000YIB
Chemical Name:
1H-Pyrazolo[4,3-d]pyriMidine, 7-chloro-3-(1-Methylethyl)-5-(Methylthio)-
CAS Number:
1289139-31-6
Molecular Formula:
C9H11ClN4S
Molecular Weight:
242.7284
IUPAC Name:
7-chloro-5-methylsulfanyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C9H11ClN4S/c1-4(2)5-6-7(14-13-5)8(10)12-9(11-6)15-3/h4H,1-3H3,(H,13,14)
InChI Key:
IJOOBOJXEIFQBG-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c2c(n1)c(n[nH]2)C(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.725g/mol
Monoisotopic Mass:
242.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.