1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane

C6H15O2PS2 — CID 13020001

IUPAC1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OCC)SC
InChIInChI=1S/C6H15O2PS2/c1-4-6-11-9(7,10-3)8-5-2/h4-6H2,1-3H3
InChIKeyYAYATFRQCMZXSD-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.64
Rot. Bonds6

About 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane

1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane (PubChem CID 13020001) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Name1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane
PubChem CID13020001
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Name1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OCC)SC
InChIInChI=1S/C6H15O2PS2/c1-4-6-11-9(7,10-3)8-5-2/h4-6H2,1-3H3
InChIKeyYAYATFRQCMZXSD-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.64
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 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane?
The IUPAC name of 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane (CID 13020001) is 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane.
What is the SMILES notation for 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane?
The canonical SMILES for 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane is CCCSP(=O)(OCC)SC.
What is the InChIKey of 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane?
The InChIKey is YAYATFRQCMZXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-4-6-11-9(7,10-3)8-5-2/h4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane?
1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane has a molecular weight of 214.29 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methylsulfanyl)phosphoryl]sulfanylpropane is sourced from PubChem (CID 13020001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).