Name: Name:4-((N-methyltetrahydrothiophene-3-carboxamido)methyl)benzoic acid
Brand: Angene
SKU: AG01BKEP
Rating: 90 (10 reviews)

4-((N-methyltetrahydrothiophene-3-carboxamido)methyl)benzoic acid

CAS No.:

1488850-77-6

Catalog Number:

AG01BKEP

Molecular Formula:

C14H17NO3S

Molecular Weight:

279.3547

Catalog Number:

AG01BKEP

Chemical Name:

4-((N-methyltetrahydrothiophene-3-carboxamido)methyl)benzoic acid

CAS Number:

1488850-77-6

Molecular Formula:

C14H17NO3S

Molecular Weight:

279.3547

MDL Number:

MFCD19429470

IUPAC Name:

4-[[methyl(thiolane-3-carbonyl)amino]methyl]benzoic acid

InChI:

InChI=1S/C14H17NO3S/c1-15(13(16)12-6-7-19-9-12)8-10-2-4-11(5-3-10)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)

InChI Key:

GICUSIREHHGPIZ-UHFFFAOYSA-N

SMILES:

O=C(N(Cc1ccc(cc1)C(=O)O)C)C1CSCC1

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.354g/mol

Monoisotopic Mass:

279.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5