2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol

C14H22O6S4 — CID 19864001

IUPAC2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol
SMILESOCCSc1c(O)c(SCCO)c(SCCO)c(O)c1SCCO
InChIInChI=1S/C14H22O6S4/c15-1-5-21-11-9(19)13(23-7-3-17)14(24-8-4-18)10(20)12(11)22-6-2-16/h15-20H,1-8H2
InChIKeyTVWFLXROQJHXHN-UHFFFAOYSA-N
MW414.59 g/mol
LogP1.44
Rot. Bonds12

About 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol

2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol (PubChem CID 19864001) has the molecular formula C14H22O6S4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol
PubChem CID19864001
Molecular FormulaC14H22O6S4
Molecular Weight414.59 g/mol
Exact Mass414.03
IUPAC Name2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol
SMILESOCCSc1c(O)c(SCCO)c(SCCO)c(O)c1SCCO
InChIInChI=1S/C14H22O6S4/c15-1-5-21-11-9(19)13(23-7-3-17)14(24-8-4-18)10(20)12(11)22-6-2-16/h15-20H,1-8H2
InChIKeyTVWFLXROQJHXHN-UHFFFAOYSA-N
XLogP1.44
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol?
The IUPAC name of 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol (CID 19864001) is 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol?
The canonical SMILES for 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol is OCCSc1c(O)c(SCCO)c(SCCO)c(O)c1SCCO.
What is the InChIKey of 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol?
The InChIKey is TVWFLXROQJHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6S4/c15-1-5-21-11-9(19)13(23-7-3-17)14(24-8-4-18)10(20)12(11)22-6-2-16/h15-20H,1-8H2.
What are the key properties of 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol?
2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol has a molecular weight of 414.59 g/mol, XLogP of 1.44, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol is sourced from PubChem (CID 19864001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).