(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane

C6H13OPS — CID 11899665

IUPAC(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
SMILESCC[P@@]1(=S)CC[C@@H](C)O1
InChIInChI=1S/C6H13OPS/c1-3-8(9)5-4-6(2)7-8/h6H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyIZZALKQMXQUZJF-HTRCEHHLSA-N
MW164.21 g/mol
LogP2.21
Rot. Bonds1

About (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane

(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane (PubChem CID 11899665) has the molecular formula C6H13OPS and a molecular weight of 164.21 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
PubChem CID11899665
Molecular FormulaC6H13OPS
Molecular Weight164.21 g/mol
Exact Mass164.04
IUPAC Name(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
SMILESCC[P@@]1(=S)CC[C@@H](C)O1
InChIInChI=1S/C6H13OPS/c1-3-8(9)5-4-6(2)7-8/h6H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyIZZALKQMXQUZJF-HTRCEHHLSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23416384
(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol
CID 11849492
(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23419061
bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)
CID 11614081
(2S)-2,5-dimethyloxolane
CID 118613003
4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 13204288
2-methyloxane;propane
CID 171074580
1-methoxy-3-methyl-1λ5-phospholane 1-oxide
CID 15682939
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
3-ethyl-2,6-dimethyloxane
CID 54145589
4-(1-chloropropyl)-2-methyloxane
CID 79308102

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane?
The IUPAC name of (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane (CID 11899665) is (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane.
What is the SMILES notation for (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane?
The canonical SMILES for (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane is CC[P@@]1(=S)CC[C@@H](C)O1.
What is the InChIKey of (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane?
The InChIKey is IZZALKQMXQUZJF-HTRCEHHLSA-N. The full InChI is InChI=1S/C6H13OPS/c1-3-8(9)5-4-6(2)7-8/h6H,3-5H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane?
(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane has a molecular weight of 164.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane is sourced from PubChem (CID 11899665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).