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127087-16-5 | 1,4-Benzenediol, 2,3,5-tris(methylthio)-
CAS No: 127087-16-5 Catalog No: AG000WND MDL No:
Product Description
Catalog Number:
AG000WND
Chemical Name:
1,4-Benzenediol, 2,3,5-tris(methylthio)-
CAS Number:
127087-16-5
Molecular Formula:
C9H12O2S3
Molecular Weight:
248.3854
IUPAC Name:
2,3,5-tris(methylsulfanyl)benzene-1,4-diol
InChI:
InChI=1S/C9H12O2S3/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4,10-11H,1-3H3
InChI Key:
PUTXYHAWWBIFFE-UHFFFAOYSA-N
SMILES:
CSc1cc(O)c(c(c1O)SC)SC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.373g/mol
Monoisotopic Mass:
248g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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