Name: Name:1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
Brand: Angene
SKU: AG019NY1
Rating: 90 (10 reviews)

1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole-5-thiol

CAS No.:

80650-21-1

Catalog Number:

AG019NY1

Molecular Formula:

C9H10N4S

Molecular Weight:

206.2675

Catalog Number:

AG019NY1

Chemical Name:

1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole-5-thiol

CAS Number:

80650-21-1

Molecular Formula:

C9H10N4S

Molecular Weight:

206.2675

MDL Number:

MFCD03720179

IUPAC Name:

1-(2,6-dimethylphenyl)-2H-tetrazole-5-thione

InChI:

InChI=1S/C9H10N4S/c1-6-4-3-5-7(2)8(6)13-9(14)10-11-12-13/h3-5H,1-2H3,(H,10,12,14)

InChI Key:

BPNGKLFVOMPRJQ-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1n1nnnc1S)C

Complexity:

256

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:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5