Name: Name:1-(4-butylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
Brand: Angene
SKU: AG019HBQ
Rating: 90 (10 reviews)

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

CAS No.:

135965-07-0

Catalog Number:

AG019HBQ

Molecular Formula:

C11H14N4S

Molecular Weight:

234.3207

Catalog Number:

AG019HBQ

Chemical Name:

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

CAS Number:

135965-07-0

Molecular Formula:

C11H14N4S

Molecular Weight:

234.3207

MDL Number:

MFCD03154352

IUPAC Name:

1-(4-butylphenyl)-2H-tetrazole-5-thione

InChI:

InChI=1S/C11H14N4S/c1-2-3-4-9-5-7-10(8-6-9)15-11(16)12-13-14-15/h5-8H,2-4H2,1H3,(H,12,14,16)

InChI Key:

NWIVURKKUPQJOZ-UHFFFAOYSA-N

SMILES:

CCCCc1ccc(cc1)n1nnnc1S

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.321g/mol

Monoisotopic Mass:

234.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7