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102117-39-5 | Benzoic acid, 3,5-dimercapto-
CAS No: 102117-39-5 Catalog No: AG0006NT MDL No:MFCD20638944
Product Description
Catalog Number:
AG0006NT
Chemical Name:
Benzoic acid, 3,5-dimercapto-
CAS Number:
102117-39-5
Molecular Formula:
C7H6O2S2
Molecular Weight:
186.2513
MDL Number:
MFCD20638944
IUPAC Name:
3,5-bis(sulfanyl)benzoic acid
InChI:
InChI=1S/C7H6O2S2/c8-7(9)4-1-5(10)3-6(11)2-4/h1-3,10-11H,(H,8,9)
InChI Key:
SZYZOUJPUFNQKS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(S)cc(c1)S
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.243g/mol
Monoisotopic Mass:
185.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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