Name: Name:1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
Brand: Angene
SKU: AG019HBL
Rating: 90 (10 reviews)

1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol

CAS No.:

379726-45-1

Catalog Number:

AG019HBL

Molecular Formula:

C9H10N4OS

Molecular Weight:

222.2669

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Product Description

Catalog Number:

AG019HBL

Chemical Name:

1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol

CAS Number:

379726-45-1

Molecular Formula:

C9H10N4OS

Molecular Weight:

222.2669

MDL Number:

MFCD03152464

IUPAC Name:

1-(2-methoxy-5-methylphenyl)-2H-tetrazole-5-thione

InChI:

InChI=1S/C9H10N4OS/c1-6-3-4-8(14-2)7(5-6)13-9(15)10-11-12-13/h3-5H,1-2H3,(H,10,12,15)

InChI Key:

RIPLVSZIYHAJGD-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1n1nnnc1S)C

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.266g/mol

Monoisotopic Mass:

222.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501