Name: Name:5-(3-bromo-4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01BCRP
Rating: 90 (10 reviews)

5-(3-bromo-4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

1179024-63-5

Catalog Number:

AG01BCRP

Molecular Formula:

C9H8BrN3OS

Molecular Weight:

286.1483

Catalog Number:

AG01BCRP

Chemical Name:

5-(3-bromo-4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

1179024-63-5

Molecular Formula:

C9H8BrN3OS

Molecular Weight:

286.1483

MDL Number:

MFCD12824300

IUPAC Name:

5-(3-bromo-4-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione

InChI:

InChI=1S/C9H8BrN3OS/c1-14-7-3-2-5(4-6(7)10)8-11-9(15)13-12-8/h2-4H,1H3,(H2,11,12,13,15)

InChI Key:

HIUYRPZHXNAQKG-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Br)c1nnc([nH]1)S

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.147g/mol

Monoisotopic Mass:

284.957g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1