Name: Name:1,2,4-Triazolo[4,3-c]pyrimidine, 8-bromo-5-(methylthio)-
Brand: Angene
SKU: AG00IKAD
Rating: 90 (10 reviews)

1,2,4-Triazolo[4,3-c]pyrimidine, 8-bromo-5-(methylthio)-

CAS No.:

99451-55-5

Catalog Number:

AG00IKAD

Molecular Formula:

C6H5BrN4S

Molecular Weight:

245.0997

Catalog Number:

AG00IKAD

Chemical Name:

1,2,4-Triazolo[4,3-c]pyrimidine, 8-bromo-5-(methylthio)-

CAS Number:

99451-55-5

Molecular Formula:

C6H5BrN4S

Molecular Weight:

245.0997

MDL Number:

MFCD28502491

IUPAC Name:

8-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine

InChI:

InChI=1S/C6H5BrN4S/c1-12-6-8-2-4(7)5-10-9-3-11(5)6/h2-3H,1H3

InChI Key:

PYXSQRIHTWWWIN-UHFFFAOYSA-N

SMILES:

CSc1ncc(c2n1cnn2)Br

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.098g/mol

Monoisotopic Mass:

243.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1