(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane

C8H10ClPS3 — CID 21482722

IUPAC(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(S)Sc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClPS3/c1-2-10(11,12)13-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyVGDYYRKDXAYIDS-UHFFFAOYSA-N
MW268.80 g/mol
LogP4.69
Rot. Bonds3

About (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane

(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 21482722) has the molecular formula C8H10ClPS3 and a molecular weight of 268.80 g/mol. Its IUPAC name is (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID21482722
Molecular FormulaC8H10ClPS3
Molecular Weight268.80 g/mol
Exact Mass267.94
IUPAC Name(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(S)Sc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClPS3/c1-2-10(11,12)13-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyVGDYYRKDXAYIDS-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane (CID 21482722) is (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane is CCP(=S)(S)Sc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is VGDYYRKDXAYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClPS3/c1-2-10(11,12)13-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane?
(4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 268.80 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfanyl-ethyl-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).