(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene

C7H15O3PS2 — CID 134921855

IUPAC(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene
SMILESCCS/C(=C/P(=O)(OC)OC)SC
InChIInChI=1S/C7H15O3PS2/c1-5-13-7(12-4)6-11(8,9-2)10-3/h6H,5H2,1-4H3/b7-6+
InChIKeyFKMBHEWUNXJAFL-VOTSOKGWSA-N
MW242.30 g/mol
LogP3.39
Rot. Bonds6

About (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene

(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene (PubChem CID 134921855) has the molecular formula C7H15O3PS2 and a molecular weight of 242.30 g/mol. Its IUPAC name is (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene.

Molecular Properties

Compound Name(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene
PubChem CID134921855
Molecular FormulaC7H15O3PS2
Molecular Weight242.30 g/mol
Exact Mass242.02
IUPAC Name(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene
SMILESCCS/C(=C/P(=O)(OC)OC)SC
InChIInChI=1S/C7H15O3PS2/c1-5-13-7(12-4)6-11(8,9-2)10-3/h6H,5H2,1-4H3/b7-6+
InChIKeyFKMBHEWUNXJAFL-VOTSOKGWSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-ethyl dimethoxyphosphorylmethanethioate
CID 14937900
1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
CID 71394158
(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
CID 13103932
methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
CID 15247807
S-ethyl 2-methoxyethanethioate
CID 15145870
1-dimethoxyphosphorylethene;methanol
CID 174918241
1-dimethoxyphosphoryl-3-methylpenta-1,2-diene
CID 12513178
1-[methoxy(methylsulfanyl)phosphoryl]ethane
CID 162624021
1,2-dimethoxyethane;pentan-3-one
CID 87877054
CID 12591357
CID 12591357
ethyl 3,3-bis(ethylsulfanyl)prop-2-enoate
CID 13275257
(E)-1-chloro-3-diethoxyphosphoryl-2-methylsulfanylprop-1-ene
CID 14788100

Frequently Asked Questions

What is the IUPAC name of (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene?
The IUPAC name of (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene (CID 134921855) is (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene.
What is the SMILES notation for (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene?
The canonical SMILES for (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene is CCS/C(=C/P(=O)(OC)OC)SC.
What is the InChIKey of (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene?
The InChIKey is FKMBHEWUNXJAFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15O3PS2/c1-5-13-7(12-4)6-11(8,9-2)10-3/h6H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene?
(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene has a molecular weight of 242.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene is sourced from PubChem (CID 134921855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).