Name: Name:3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Brand: Angene
SKU: AG00IA51
Rating: 90 (10 reviews)

3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS No.:

568559-40-0

Catalog Number:

AG00IA51

Molecular Formula:

C16H18O3S

Molecular Weight:

290.3773

Catalog Number:

AG00IA51

Chemical Name:

3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS Number:

568559-40-0

Molecular Formula:

C16H18O3S

Molecular Weight:

290.3773

MDL Number:

MFCD03986074

IUPAC Name:

3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C16H18O3S/c17-16(18)15-13(10-20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)

InChI Key:

QMCFJKXBRHJGKO-UHFFFAOYSA-N

SMILES:

OC(=O)c1oc2c(c1CSC1CCCCC1)cccc2

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.377g/mol

Monoisotopic Mass:

290.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4