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14490-33-6 | Phenol, 4,4'-[1,2-ethanediylbis(thio)]bis- (9CI)
CAS No: 14490-33-6 Catalog No: AG001KCB MDL No:
Product Description
Catalog Number:
AG001KCB
Chemical Name:
Phenol, 4,4'-[1,2-ethanediylbis(thio)]bis- (9CI)
CAS Number:
14490-33-6
Molecular Formula:
C14H14O2S2
Molecular Weight:
278.3898
IUPAC Name:
4-[2-(4-hydroxyphenyl)sulfanylethylsulfanyl]phenol
InChI:
InChI=1S/C14H14O2S2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,15-16H,9-10H2
InChI Key:
DUJKUHNEGVVMHR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SCCSc1ccc(cc1)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.384g/mol
Monoisotopic Mass:
278.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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