2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane

C7H17O3PS — CID 71508140

IUPAC2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
SMILES[2H]CSP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O3PS/c1-6(2)9-11(8,12-5)10-7(3)4/h6-7H,1-5H3/i5D
InChIKeyJHWXYJPSYKWIOF-UICOGKGYSA-N
MW213.26 g/mol
LogP3.31
Rot. Bonds6

About 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane

2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 71508140) has the molecular formula C7H17O3PS and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID71508140
Molecular FormulaC7H17O3PS
Molecular Weight213.26 g/mol
Exact Mass213.07
IUPAC Name2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
SMILES[2H]CSP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C7H17O3PS/c1-6(2)9-11(8,12-5)10-7(3)4/h6-7H,1-5H3/i5D
InChIKeyJHWXYJPSYKWIOF-UICOGKGYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane (CID 71508140) is 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane is [2H]CSP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is JHWXYJPSYKWIOF-UICOGKGYSA-N. The full InChI is InChI=1S/C7H17O3PS/c1-6(2)9-11(8,12-5)10-7(3)4/h6-7H,1-5H3/i5D.
What are the key properties of 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 213.26 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 71508140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).