[ethoxy(ethyl)phosphoryl]sulfanylbenzene

C10H15O2PS — CID 13675

IUPAC[ethoxy(ethyl)phosphoryl]sulfanylbenzene
SMILESCCOP(=O)(CC)Sc1ccccc1
InChIInChI=1S/C10H15O2PS/c1-3-12-13(11,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyKKVDUJRKQVHKBU-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.03
Rot. Bonds5

About [ethoxy(ethyl)phosphoryl]sulfanylbenzene

[ethoxy(ethyl)phosphoryl]sulfanylbenzene (PubChem CID 13675) has the molecular formula C10H15O2PS and a molecular weight of 230.27 g/mol. Its IUPAC name is [ethoxy(ethyl)phosphoryl]sulfanylbenzene.

Molecular Properties

Compound Name[ethoxy(ethyl)phosphoryl]sulfanylbenzene
PubChem CID13675
Molecular FormulaC10H15O2PS
Molecular Weight230.27 g/mol
Exact Mass230.05
IUPAC Name[ethoxy(ethyl)phosphoryl]sulfanylbenzene
SMILESCCOP(=O)(CC)Sc1ccccc1
InChIInChI=1S/C10H15O2PS/c1-3-12-13(11,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyKKVDUJRKQVHKBU-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethyl)phosphoryl]sulfanylbenzene?
The IUPAC name of [ethoxy(ethyl)phosphoryl]sulfanylbenzene (CID 13675) is [ethoxy(ethyl)phosphoryl]sulfanylbenzene.
What is the SMILES notation for [ethoxy(ethyl)phosphoryl]sulfanylbenzene?
The canonical SMILES for [ethoxy(ethyl)phosphoryl]sulfanylbenzene is CCOP(=O)(CC)Sc1ccccc1.
What is the InChIKey of [ethoxy(ethyl)phosphoryl]sulfanylbenzene?
The InChIKey is KKVDUJRKQVHKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2PS/c1-3-12-13(11,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of [ethoxy(ethyl)phosphoryl]sulfanylbenzene?
[ethoxy(ethyl)phosphoryl]sulfanylbenzene has a molecular weight of 230.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethyl)phosphoryl]sulfanylbenzene is sourced from PubChem (CID 13675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).