1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene

C18H23OPS2 — CID 23617316

IUPAC1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
SMILESCCc1ccccc1SP(=O)(CC)Sc1ccccc1CC
InChIInChI=1S/C18H23OPS2/c1-4-15-11-7-9-13-17(15)21-20(19,6-3)22-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3
InChIKeyFSTYMUYBLZEJBE-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.91
Rot. Bonds7

About 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene

1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene (PubChem CID 23617316) has the molecular formula C18H23OPS2 and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
PubChem CID23617316
Molecular FormulaC18H23OPS2
Molecular Weight350.49 g/mol
Exact Mass350.09
IUPAC Name1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
SMILESCCc1ccccc1SP(=O)(CC)Sc1ccccc1CC
InChIInChI=1S/C18H23OPS2/c1-4-15-11-7-9-13-17(15)21-20(19,6-3)22-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3
InChIKeyFSTYMUYBLZEJBE-UHFFFAOYSA-N
XLogP6.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87853976
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
1,2-diethylbenzene;hydrobromide
CID 174973685
2-ethylbenzenethiol;hydrochloride;tetrahydrofluoride
CID 173051848
2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
CID 57200216
(2-ethylphenyl)-[(2-ethylphenyl)phosphanylmethyl]phosphane
CID 174976711
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
(2-ethylphenyl)methylphosphonic acid
CID 70598773
CID 174397132
CID 174397132

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene?
The IUPAC name of 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene (CID 23617316) is 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene.
What is the SMILES notation for 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene?
The canonical SMILES for 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene is CCc1ccccc1SP(=O)(CC)Sc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene?
The InChIKey is FSTYMUYBLZEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OPS2/c1-4-15-11-7-9-13-17(15)21-20(19,6-3)22-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene?
1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene has a molecular weight of 350.49 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene is sourced from PubChem (CID 23617316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).