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136670-22-9 | 1,4-Benzenediol, 2-[(2-hydroxyethyl)thio]-
CAS No: 136670-22-9 Catalog No: AG001275 MDL No:
Product Description
Catalog Number:
AG001275
Chemical Name:
1,4-Benzenediol, 2-[(2-hydroxyethyl)thio]-
CAS Number:
136670-22-9
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
IUPAC Name:
2-(2-hydroxyethylsulfanyl)benzene-1,4-diol
InChI:
InChI=1S/C8H10O3S/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5,9-11H,3-4H2
InChI Key:
BEGHXSZVKYURGD-UHFFFAOYSA-N
SMILES:
OCCSc1cc(O)ccc1O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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