sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 5,5'-Thiodisalicylic acid

5,5'-Thiodisalicylic acid

CAS No.:
1820-99-1
Catalog Number:
AG00239Q
Molecular Formula:
C14H10O6S
Molecular Weight:
306.2906
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(T)
1 week
United States
$257
- +
25g
>98.0%(GC)(T)
1 week
United States
$677
- +
Product Description
Catalog Number:
AG00239Q
Chemical Name:
5,5'-Thiodisalicylic acid
CAS Number:
1820-99-1
Molecular Formula:
C14H10O6S
Molecular Weight:
306.2906
MDL Number:
MFCD00020264
IUPAC Name:
5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C14H10O6S/c15-11-3-1-7(5-9(11)13(17)18)21-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChI Key:
DWMJRSPNFCPIQN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)Sc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.02g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
306.288g/mol
Monoisotopic Mass:
306.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase. Proteins 19970901
Properties