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18231-99-7 | 1,4-Benzenediol, 2-(methylthio)-
CAS No: 18231-99-7 Catalog No: AG0023LY MDL No:
Product Description
Catalog Number:
AG0023LY
Chemical Name:
1,4-Benzenediol, 2-(methylthio)-
CAS Number:
18231-99-7
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
IUPAC Name:
2-methylsulfanylbenzene-1,4-diol
InChI:
InChI=1S/C7H8O2S/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3
InChI Key:
OEHDGOUYTUYEQT-UHFFFAOYSA-N
SMILES:
CSc1cc(O)ccc1O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Trierixin, a novel Inhibitor of ER stress-induced XBP1 activation from Streptomyces sp. II. structure elucidation. | The Journal of antibiotics 20070901 |
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