Name: Name:5H-Tetrazole-5-thione, 1-(2,5-dimethoxyphenyl)-1,2-dihydro-
Brand: Angene
SKU: AG004X4J
Rating: 90 (10 reviews)

5H-Tetrazole-5-thione, 1-(2,5-dimethoxyphenyl)-1,2-dihydro-

CAS No.:

82069-15-6

Catalog Number:

AG004X4J

Molecular Formula:

C9H10N4O2S

Molecular Weight:

238.2663

Catalog Number:

AG004X4J

Chemical Name:

5H-Tetrazole-5-thione, 1-(2,5-dimethoxyphenyl)-1,2-dihydro-

CAS Number:

82069-15-6

Molecular Formula:

C9H10N4O2S

Molecular Weight:

238.2663

MDL Number:

MFCD03126895

IUPAC Name:

1-(2,5-dimethoxyphenyl)-2H-tetrazole-5-thione

InChI:

InChI=1S/C9H10N4O2S/c1-14-6-3-4-8(15-2)7(5-6)13-9(16)10-11-12-13/h3-5H,1-2H3,(H,10,12,16)

InChI Key:

FUGQRJFPUAIEBK-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)n1[nH]nnc1=S)OC

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.265g/mol

Monoisotopic Mass:

238.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8