Name: Name:5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019LAB
Rating: 90 (10 reviews)

5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

CAS No.:

690642-82-1

Catalog Number:

AG019LAB

Molecular Formula:

C7H9N5S2

Molecular Weight:

227.3099

Catalog Number:

AG019LAB

Chemical Name:

5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

CAS Number:

690642-82-1

Molecular Formula:

C7H9N5S2

Molecular Weight:

227.3099

MDL Number:

MFCD05719131

IUPAC Name:

3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C7H9N5S2/c1-12-5(10-11-7(12)13)2-4-3-14-6(8)9-4/h3H,2H2,1H3,(H2,8,9)(H,11,13)

InChI Key:

RYIDJWVZDWSQCF-UHFFFAOYSA-N

SMILES:

Nc1scc(n1)Cc1nnc(n1C)S

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.304g/mol

Monoisotopic Mass:

227.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3