Name: Name:Benzenepropanoic acid,4-mercapto-a,a-dimethyl-, ethyl ester
Brand: Angene
SKU: AG004NX3
Rating: 90 (10 reviews)

Benzenepropanoic acid,4-mercapto-a,a-dimethyl-, ethyl ester

CAS No.:

869853-73-6

Catalog Number:

AG004NX3

Molecular Formula:

C13H18O2S

Molecular Weight:

238.3458

Catalog Number:

AG004NX3

Chemical Name:

Benzenepropanoic acid,4-mercapto-a,a-dimethyl-, ethyl ester

CAS Number:

869853-73-6

Molecular Formula:

C13H18O2S

Molecular Weight:

238.3458

MDL Number:

MFCD02683321

IUPAC Name:

ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate

InChI:

InChI=1S/C13H18O2S/c1-4-15-12(14)13(2,3)9-10-5-7-11(16)8-6-10/h5-8,16H,4,9H2,1-3H3

InChI Key:

GARCOZSVVMBQFJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1ccc(cc1)S)(C)C

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.345g/mol

Monoisotopic Mass:

238.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5