Name: Name:2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019HTZ
Rating: 90 (10 reviews)

2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

CAS No.:

436095-15-7

Catalog Number:

AG019HTZ

Molecular Formula:

C11H12N4O2S

Molecular Weight:

264.3036

Catalog Number:

AG019HTZ

Chemical Name:

2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

CAS Number:

436095-15-7

Molecular Formula:

C11H12N4O2S

Molecular Weight:

264.3036

MDL Number:

MFCD03958021

IUPAC Name:

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetic acid

InChI:

InChI=1S/C11H12N4O2S/c1-7-3-4-8(2)9(5-7)15-11(12-13-14-15)18-6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)

InChI Key:

KSRNXNAZNJZHBK-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnnn1c1cc(C)ccc1C

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.303g/mol

Monoisotopic Mass:

264.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4