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Home > Other Building Blocks > 15015-57-3
15015-57-3 | Phenol, 4,4'-dithiobis-
CAS No: 15015-57-3 Catalog No: AG001MDJ MDL No:MFCD00020164
Product Description
Catalog Number:
AG001MDJ
Chemical Name:
Phenol, 4,4'-dithiobis-
CAS Number:
15015-57-3
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
MDL Number:
MFCD00020164
IUPAC Name:
4-[(4-hydroxyphenyl)disulfanyl]phenol
InChI:
InChI=1S/C12H10O2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChI Key:
XGKGITBBMXTKTE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SSc1ccc(cc1)O
NSC Number:
132570
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.33g/mol
Monoisotopic Mass:
250.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis and preliminary in vitro biological evaluation of 4-[(4-hydroxyphenyl)sulfanyl]but-3-en-2-one, a 4-mercaptophenol derivative designed as a novel bifunctional antimelanoma agent. | Journal of medicinal chemistry 20090813 |
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