2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol

C7H15O3PS3 — CID 101452568

IUPAC2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol
SMILESCC1(C)COP(=S)(SSCCO)OC1
InChIInChI=1S/C7H15O3PS3/c1-7(2)5-9-11(12,10-6-7)14-13-4-3-8/h8H,3-6H2,1-2H3
InChIKeyQIQPNMFXZWYIJP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.66
Rot. Bonds4

About 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol (PubChem CID 101452568) has the molecular formula C7H15O3PS3 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol
PubChem CID101452568
Molecular FormulaC7H15O3PS3
Molecular Weight274.37 g/mol
Exact Mass273.99
IUPAC Name2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol
SMILESCC1(C)COP(=S)(SSCCO)OC1
InChIInChI=1S/C7H15O3PS3/c1-7(2)5-9-11(12,10-6-7)14-13-4-3-8/h8H,3-6H2,1-2H3
InChIKeyQIQPNMFXZWYIJP-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-Ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 58139738
5,5-Dimethyl-2-propylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608481
3-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]propan-1-ol
CID 89115110
2-Hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 151655759

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol?
The IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol (CID 101452568) is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol.
What is the SMILES notation for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol?
The canonical SMILES for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol is CC1(C)COP(=S)(SSCCO)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol?
The InChIKey is QIQPNMFXZWYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3PS3/c1-7(2)5-9-11(12,10-6-7)14-13-4-3-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol?
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol has a molecular weight of 274.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)disulfanyl]ethanol is sourced from PubChem (CID 101452568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).