Name: Name:2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoic acid
Brand: Angene
SKU: AG019HNZ
Rating: 90 (10 reviews)

2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoic acid

CAS No.:

1005159-83-0

Catalog Number:

AG019HNZ

Molecular Formula:

C19H26O4S

Molecular Weight:

350.4723

Catalog Number:

AG019HNZ

Chemical Name:

2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoic acid

CAS Number:

1005159-83-0

Molecular Formula:

C19H26O4S

Molecular Weight:

350.4723

MDL Number:

MFCD03949340

IUPAC Name:

2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid

InChI:

InChI=1S/C19H26O4S/c1-12(2)14-9-8-13(3)10-16(14)23-18(20)11-24-17-7-5-4-6-15(17)19(21)22/h4-7,12-14,16H,8-11H2,1-3H3,(H,21,22)

InChI Key:

GZPWQYNLYYAAGZ-UHFFFAOYSA-N

SMILES:

CC1CCC(C(C1)OC(=O)CSc1ccccc1C(=O)O)C(C)C

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.473g/mol

Monoisotopic Mass:

350.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4