Name: Name:2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}benzoic acid
Brand: Angene
SKU: AG019OL1
Rating: 90 (10 reviews)

2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}benzoic acid

CAS No.:

872319-73-8

Catalog Number:

AG019OL1

Molecular Formula:

C15H12N4O2S

Molecular Weight:

312.3464

Catalog Number:

AG019OL1

Chemical Name:

2-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}benzoic acid

CAS Number:

872319-73-8

Molecular Formula:

C15H12N4O2S

Molecular Weight:

312.3464

MDL Number:

MFCD07339364

IUPAC Name:

2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoic acid

InChI:

InChI=1S/C15H12N4O2S/c20-15(21)12-8-4-5-9-13(12)22-10-14-16-17-18-19(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)

InChI Key:

ZKMNYYRQCYUFRP-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1SCc1nnnn1c1ccccc1

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.347g/mol

Monoisotopic Mass:

312.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8