Name: Name:Benzoic acid, 4-(1,3-dithiolan-2-yl)-
Brand: Angene
SKU: AG0003L8
Rating: 90 (10 reviews)

Benzoic acid, 4-(1,3-dithiolan-2-yl)-

CAS No.:

101033-03-8

Catalog Number:

AG0003L8

Molecular Formula:

C10H10O2S2

Molecular Weight:

226.3152

Catalog Number:

AG0003L8

Chemical Name:

Benzoic acid, 4-(1,3-dithiolan-2-yl)-

CAS Number:

101033-03-8

Molecular Formula:

C10H10O2S2

Molecular Weight:

226.3152

MDL Number:

MFCD06254774

IUPAC Name:

4-(1,3-dithiolan-2-yl)benzoic acid

InChI:

InChI=1S/C10H10O2S2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,10H,5-6H2,(H,11,12)

InChI Key:

TUFUEXHGSDXLLE-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)C1SCCS1

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.308g/mol

Monoisotopic Mass:

226.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5