2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

C6H13OPS2 — CID 170850808

IUPAC2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCCCP1(=S)OCCCS1
InChIInChI=1S/C6H13OPS2/c1-2-5-8(9)7-4-3-6-10-8/h2-6H2,1H3
InChIKeyRYUSHSOSLANDGG-UHFFFAOYSA-N
MW196.28 g/mol
LogP2.86
Rot. Bonds2

About 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (PubChem CID 170850808) has the molecular formula C6H13OPS2 and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.

Molecular Properties

Compound Name2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
PubChem CID170850808
Molecular FormulaC6H13OPS2
Molecular Weight196.28 g/mol
Exact Mass196.01
IUPAC Name2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESCCCP1(=S)OCCCS1
InChIInChI=1S/C6H13OPS2/c1-2-5-8(9)7-4-3-6-10-8/h2-6H2,1H3
InChIKeyRYUSHSOSLANDGG-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
O,S-Diethyl methylphosphonodithioate
CID 565350
Dipropyldithiophosphonate
CID 129805568
Ethoxy-ethyl-ethylsulfanylphosphane
CID 134977082
2-Ethyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 170850809
2-Ethoxy-1,3,2-dithiaphosphinane
CID 12730258
2-Ethoxy-4-methyl-1,3,2-dithiaphosphinane
CID 12730259
2-Methoxy-1,3,2-dithiaphosphinane
CID 13542818
2-Ethoxy-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 21674354
2-Ethoxy-4-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 21674362
Butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-lambda5-phosphane
CID 23263335
2-Methoxy-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 23416314

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The IUPAC name of 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (CID 170850808) is 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.
What is the SMILES notation for 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The canonical SMILES for 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is CCCP1(=S)OCCCS1.
What is the InChIKey of 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The InChIKey is RYUSHSOSLANDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OPS2/c1-2-5-8(9)7-4-3-6-10-8/h2-6H2,1H3.
What are the key properties of 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane has a molecular weight of 196.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is sourced from PubChem (CID 170850808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).