Home Other Building Blocks 2-[(1,1-dioxo-1lambda6-thiolan-3-yl)sulfanyl]benzoic acid

2-[(1,1-dioxo-1lambda6-thiolan-3-yl)sulfanyl]benzoic acid

CAS No.:
848658-85-5
Catalog Number:
AG019OIK
Molecular Formula:
C11H12O4S2
Molecular Weight:
272.3406
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Product Description
Catalog Number:
AG019OIK
Chemical Name:
2-[(1,1-dioxo-1lambda6-thiolan-3-yl)sulfanyl]benzoic acid
CAS Number:
848658-85-5
Molecular Formula:
C11H12O4S2
Molecular Weight:
272.3406
MDL Number:
MFCD07330005
IUPAC Name:
2-(1,1-dioxothiolan-3-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C11H12O4S2/c12-11(13)9-3-1-2-4-10(9)16-8-5-6-17(14,15)7-8/h1-4,8H,5-7H2,(H,12,13)
InChI Key:
GBBIRAOCEAKLDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SC1CCS(=O)(=O)C1
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.018g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.333g/mol
Monoisotopic Mass:
272.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties