Name: Name:1-(3-bromo-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
Brand: Angene
SKU: AG01AHEA
Rating: 90 (10 reviews)

1-(3-bromo-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one

CAS No.:

898639-56-0

Catalog Number:

AG01AHEA

Molecular Formula:

C12H12BrN3O2S

Molecular Weight:

342.2116

Catalog Number:

AG01AHEA

Chemical Name:

1-(3-bromo-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one

CAS Number:

898639-56-0

Molecular Formula:

C12H12BrN3O2S

Molecular Weight:

342.2116

MDL Number:

MFCD18483308

IUPAC Name:

1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

InChI:

InChI=1S/C12H12BrN3O2S/c1-7-14-12(16-15-7)19-6-10(17)8-3-4-11(18-2)9(13)5-8/h3-5H,6H2,1-2H3,(H,14,15,16)

InChI Key:

ZOVPZPCEFNOHBA-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Br)C(=O)CSc1[nH]nc(n1)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.983g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

342.211g/mol

Monoisotopic Mass:

340.983g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3