200,000+ products from a single source!
sales@angenechem.com
130783-68-5 | Isoxazolo[5,4-d]pyrimidine-4(5H)-thione, 3-methyl- (9CI)
CAS No: 130783-68-5 Catalog No: AG009HCR MDL No:MFCD00102682
Product Description
Catalog Number:
AG009HCR
Chemical Name:
Isoxazolo[5,4-d]pyrimidine-4(5H)-thione, 3-methyl- (9CI)
CAS Number:
130783-68-5
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
MDL Number:
MFCD00102682
IUPAC Name:
3-methyl-7H-[1,2]oxazolo[5,4-d]pyrimidine-4-thione
InChI:
InChI=1S/C6H5N3OS/c1-3-4-5(10-9-3)7-2-8-6(4)11/h2H,1H3,(H,7,8,11)
InChI Key:
VBBCIBYTNGQINZ-UHFFFAOYSA-N
SMILES:
Cc1noc2c1c(=S)[nH]cn2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.