2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

C5H11O2PS2 — CID 151655759

IUPAC2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCC1(C)COP(O)(=S)SC1
InChIInChI=1S/C5H11O2PS2/c1-5(2)3-7-8(6,9)10-4-5/h3-4H2,1-2H3,(H,6,9)
InChIKeyQVLOXBIYGUCLQG-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.99
Rot. Bonds

About 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (PubChem CID 151655759) has the molecular formula C5H11O2PS2 and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.

Molecular Properties

Compound Name2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
PubChem CID151655759
Molecular FormulaC5H11O2PS2
Molecular Weight198.25 g/mol
Exact Mass197.99
IUPAC Name2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCC1(C)COP(O)(=S)SC1
InChIInChI=1S/C5H11O2PS2/c1-5(2)3-7-8(6,9)10-4-5/h3-4H2,1-2H3,(H,6,9)
InChIKeyQVLOXBIYGUCLQG-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23416330
O-Ethyl S-propyl hydrogen phosphorodithioate
CID 10659877
2-Ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 58139738
2-Butylthio-2-thioxo-1,3,2-dioxaphosphorinane
CID 15467107
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]ethanol
CID 101452568
Ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 12874117
Ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
Butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
Butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 13314943
5,5-Dimethyl-2-propylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608481
Hydroxy-propoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
CID 13879518
2-Methoxy-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185065

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The IUPAC name of 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (CID 151655759) is 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.
What is the SMILES notation for 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The canonical SMILES for 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is CC1(C)COP(O)(=S)SC1.
What is the InChIKey of 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The InChIKey is QVLOXBIYGUCLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2PS2/c1-5(2)3-7-8(6,9)10-4-5/h3-4H2,1-2H3,(H,6,9).
What are the key properties of 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane has a molecular weight of 198.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is sourced from PubChem (CID 151655759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).