(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane

C8H11O2PS2 — CID 87853976

IUPAC(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCc1ccccc1SP(O)(O)=S
InChIInChI=1S/C8H11O2PS2/c1-2-7-5-3-4-6-8(7)13-11(9,10)12/h3-6H,2H2,1H3,(H2,9,10,12)
InChIKeyJINDZOQSQJUYDS-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.55
Rot. Bonds3

About (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane

(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 87853976) has the molecular formula C8H11O2PS2 and a molecular weight of 234.28 g/mol. Its IUPAC name is (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID87853976
Molecular FormulaC8H11O2PS2
Molecular Weight234.28 g/mol
Exact Mass233.99
IUPAC Name(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCc1ccccc1SP(O)(O)=S
InChIInChI=1S/C8H11O2PS2/c1-2-7-5-3-4-6-8(7)13-11(9,10)12/h3-6H,2H2,1H3,(H2,9,10,12)
InChIKeyJINDZOQSQJUYDS-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
CID 23617316
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
1,2-diethylbenzene;hydrobromide
CID 174973685
N-dihydroxyphosphinothioyl-2,6-diethylaniline
CID 88778381
(2-ethylphenyl)methylphosphonic acid
CID 70598773
carbonic acid;1,2-diethylbenzene
CID 89388803
2-benzylsulfanyl-6-ethylbenzoic acid
CID 174351010
[(2,3-diethylphenyl)sulfanyl-phosphonomethyl]phosphonic acid
CID 54467976
ethyl 2-(2-ethylphenyl)sulfanylacetate
CID 86276480
ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
CID 97354746

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane (CID 87853976) is (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane is CCc1ccccc1SP(O)(O)=S.
What is the InChIKey of (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is JINDZOQSQJUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2PS2/c1-2-7-5-3-4-6-8(7)13-11(9,10)12/h3-6H,2H2,1H3,(H2,9,10,12).
What are the key properties of (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 234.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87853976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).