Name: Name:3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline
Brand: Angene
SKU: AG019LJW
Rating: 90 (10 reviews)

3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline

CAS No.:

1000933-40-3

Catalog Number:

AG019LJW

Molecular Formula:

C9H10N4S

Molecular Weight:

206.2675

Catalog Number:

AG019LJW

Chemical Name:

3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline

CAS Number:

1000933-40-3

Molecular Formula:

C9H10N4S

Molecular Weight:

206.2675

MDL Number:

MFCD09971503

IUPAC Name:

3-(3-methylsulfanyl-1,2,4-triazol-4-yl)aniline

InChI:

InChI=1S/C9H10N4S/c1-14-9-12-11-6-13(9)8-4-2-3-7(10)5-8/h2-6H,10H2,1H3

InChI Key:

DJVPKYSXTNUDLL-UHFFFAOYSA-N

SMILES:

CSc1nncn1c1cccc(c1)N

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.267g/mol

Monoisotopic Mass:

206.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2