1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene

C7H14ClO3PS — CID 71394158

IUPAC1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
SMILESCCOP(=O)(C=C(Cl)SC)OCC
InChIInChI=1S/C7H14ClO3PS/c1-4-10-12(9,11-5-2)6-7(8)13-3/h6H,4-5H2,1-3H3
InChIKeyMNHRVCOCDCUXFB-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.65
Rot. Bonds6

About 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene

1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene (PubChem CID 71394158) has the molecular formula C7H14ClO3PS and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene.

Molecular Properties

Compound Name1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
PubChem CID71394158
Molecular FormulaC7H14ClO3PS
Molecular Weight244.68 g/mol
Exact Mass244.01
IUPAC Name1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
SMILESCCOP(=O)(C=C(Cl)SC)OCC
InChIInChI=1S/C7H14ClO3PS/c1-4-10-12(9,11-5-2)6-7(8)13-3/h6H,4-5H2,1-3H3
InChIKeyMNHRVCOCDCUXFB-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
(1E,3Z)-4-diethoxyphosphoryl-1-ethoxybuta-1,3-diene-1,3-diol
CID 134871026
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-chloro-3-diethoxyphosphoryl-2-methylsulfanylprop-1-ene
CID 14788100
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene?
The IUPAC name of 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene (CID 71394158) is 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene.
What is the SMILES notation for 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene?
The canonical SMILES for 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene is CCOP(=O)(C=C(Cl)SC)OCC.
What is the InChIKey of 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene?
The InChIKey is MNHRVCOCDCUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO3PS/c1-4-10-12(9,11-5-2)6-7(8)13-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene?
1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene has a molecular weight of 244.68 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene is sourced from PubChem (CID 71394158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).