S-ethyl dimethoxyphosphorylmethanethioate

C5H11O4PS — CID 14937900

IUPACS-ethyl dimethoxyphosphorylmethanethioate
SMILESCCSC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H11O4PS/c1-4-11-5(6)10(7,8-2)9-3/h4H2,1-3H3
InChIKeyWXSXDEDPOOUNLG-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.35
Rot. Bonds4

About S-ethyl dimethoxyphosphorylmethanethioate

S-ethyl dimethoxyphosphorylmethanethioate (PubChem CID 14937900) has the molecular formula C5H11O4PS and a molecular weight of 198.18 g/mol. Its IUPAC name is S-ethyl dimethoxyphosphorylmethanethioate.

Molecular Properties

Compound NameS-ethyl dimethoxyphosphorylmethanethioate
PubChem CID14937900
Molecular FormulaC5H11O4PS
Molecular Weight198.18 g/mol
Exact Mass198.01
IUPAC NameS-ethyl dimethoxyphosphorylmethanethioate
SMILESCCSC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H11O4PS/c1-4-11-5(6)10(7,8-2)9-3/h4H2,1-3H3
InChIKeyWXSXDEDPOOUNLG-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphorylbutan-1-one
CID 15685100
(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene
CID 134921855
S-ethyl 2-methoxyethanethioate
CID 15145870
1,6-bis(dimethoxyphosphoryl)hexane-1,6-dione
CID 19008700
1,18-bis(dimethoxyphosphoryl)octadecane-1,18-dione
CID 19008689
methyl 2-ethylsulfanylprop-2-enoate
CID 14912192
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
S-ethyl carbamothioate
CID 12673087
1,2-dimethoxyethane;pentan-3-one
CID 87877054
1-dimethoxyphosphorylbut-3-en-1-one
CID 87462623
1-S,4-S-diethyl 2-dimethoxyphosphinothioylbutanebis(thioate)
CID 54105895
S-ethyl (Z)-3-amino-3-methoxyprop-2-enethioate
CID 88837286

Frequently Asked Questions

What is the IUPAC name of S-ethyl dimethoxyphosphorylmethanethioate?
The IUPAC name of S-ethyl dimethoxyphosphorylmethanethioate (CID 14937900) is S-ethyl dimethoxyphosphorylmethanethioate.
What is the SMILES notation for S-ethyl dimethoxyphosphorylmethanethioate?
The canonical SMILES for S-ethyl dimethoxyphosphorylmethanethioate is CCSC(=O)P(=O)(OC)OC.
What is the InChIKey of S-ethyl dimethoxyphosphorylmethanethioate?
The InChIKey is WXSXDEDPOOUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4PS/c1-4-11-5(6)10(7,8-2)9-3/h4H2,1-3H3.
What are the key properties of S-ethyl dimethoxyphosphorylmethanethioate?
S-ethyl dimethoxyphosphorylmethanethioate has a molecular weight of 198.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl dimethoxyphosphorylmethanethioate is sourced from PubChem (CID 14937900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).