2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane

C9H19O2PS — CID 88761277

IUPAC2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OC(C)C)SC(C)C
InChIInChI=1S/C9H19O2PS/c1-6-7-12(10,11-8(2)3)13-9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyZTAUJAGJUQJZRX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.93
Rot. Bonds6

About 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane

2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane (PubChem CID 88761277) has the molecular formula C9H19O2PS and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
PubChem CID88761277
Molecular FormulaC9H19O2PS
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Name2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OC(C)C)SC(C)C
InChIInChI=1S/C9H19O2PS/c1-6-7-12(10,11-8(2)3)13-9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyZTAUJAGJUQJZRX-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryloxypropane
CID 12572720
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 129387352
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene
CID 146164418
3-diethoxyphosphorylprop-1-ene
CID 573014
CID 175885039
CID 175885039
3-diethylphosphorylprop-1-ene
CID 13431646
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
CID 175013848
4-di(propan-2-yloxy)phosphoryl-3,3-dimethyl-4-methylsulfanylbut-1-ene
CID 15254083

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane?
The IUPAC name of 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane (CID 88761277) is 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane is C=CCP(=O)(OC(C)C)SC(C)C.
What is the InChIKey of 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane?
The InChIKey is ZTAUJAGJUQJZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2PS/c1-6-7-12(10,11-8(2)3)13-9(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane?
2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane has a molecular weight of 222.29 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane is sourced from PubChem (CID 88761277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).