Name: Name:2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019PXU
Rating: 90 (10 reviews)

2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetic acid

CAS No.:

17874-35-0

Catalog Number:

AG019PXU

Molecular Formula:

C13H18O2S

Molecular Weight:

238.3458

Catalog Number:

AG019PXU

Chemical Name:

2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetic acid

CAS Number:

17874-35-0

Molecular Formula:

C13H18O2S

Molecular Weight:

238.3458

MDL Number:

MFCD08444798

IUPAC Name:

2-[(4-tert-butylphenyl)methylsulfanyl]acetic acid

InChI:

InChI=1S/C13H18O2S/c1-13(2,3)11-6-4-10(5-7-11)8-16-9-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)

InChI Key:

JMMFEXQBJKCYBD-UHFFFAOYSA-N

SMILES:

OC(=O)CSCc1ccc(cc1)C(C)(C)C

Complexity:

225

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:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8