Name: Name:2-[(3-methylbut-2-en-1-yl)sulfanyl]benzoic acid
Brand: Angene
SKU: AG01AKJS
Rating: 90 (10 reviews)

2-[(3-methylbut-2-en-1-yl)sulfanyl]benzoic acid

CAS No.:

1019351-72-4

Catalog Number:

AG01AKJS

Molecular Formula:

C12H14O2S

Molecular Weight:

222.3034

Catalog Number:

AG01AKJS

Chemical Name:

2-[(3-methylbut-2-en-1-yl)sulfanyl]benzoic acid

CAS Number:

1019351-72-4

Molecular Formula:

C12H14O2S

Molecular Weight:

222.3034

MDL Number:

MFCD11127705

IUPAC Name:

2-(3-methylbut-2-enylsulfanyl)benzoic acid

InChI:

InChI=1S/C12H14O2S/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)

InChI Key:

OVBFVTKTEZWJIB-UHFFFAOYSA-N

SMILES:

CC(=CCSc1ccccc1C(=O)O)C

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.302g/mol

Monoisotopic Mass:

222.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5