2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol

C12H20N2O4S2 — CID 10805663

IUPAC2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol
SMILESOCCOCCSc1ccnc(SCCOCCO)n1
InChIInChI=1S/C12H20N2O4S2/c15-3-5-17-7-9-19-11-1-2-13-12(14-11)20-10-8-18-6-4-16/h1-2,15-16H,3-10H2
InChIKeyZTGVOXVERXRODJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.68
Rot. Bonds12

About 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol

2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol (PubChem CID 10805663) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol
PubChem CID10805663
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol
SMILESOCCOCCSc1ccnc(SCCOCCO)n1
InChIInChI=1S/C12H20N2O4S2/c15-3-5-17-7-9-19-11-1-2-13-12(14-11)20-10-8-18-6-4-16/h1-2,15-16H,3-10H2
InChIKeyZTGVOXVERXRODJ-UHFFFAOYSA-N
XLogP0.68
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol (CID 10805663) is 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol is OCCOCCSc1ccnc(SCCOCCO)n1.
What is the InChIKey of 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol?
The InChIKey is ZTGVOXVERXRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c15-3-5-17-7-9-19-11-1-2-13-12(14-11)20-10-8-18-6-4-16/h1-2,15-16H,3-10H2.
What are the key properties of 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol?
2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol has a molecular weight of 320.44 g/mol, XLogP of 0.68, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]pyrimidin-4-yl]sulfanylethoxy]ethanol is sourced from PubChem (CID 10805663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).