dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane

C9H11Cl2PS — CID 141230622

IUPACdichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
SMILESCC(C)c1ccc(P(=S)(Cl)Cl)cc1
InChIInChI=1S/C9H11Cl2PS/c1-7(2)8-3-5-9(6-4-8)12(10,11)13/h3-7H,1-2H3
InChIKeyZIUZECQRULRIAY-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.22
Rot. Bonds2

About dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane

dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane (PubChem CID 141230622) has the molecular formula C9H11Cl2PS and a molecular weight of 253.13 g/mol. Its IUPAC name is dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
PubChem CID141230622
Molecular FormulaC9H11Cl2PS
Molecular Weight253.13 g/mol
Exact Mass251.97
IUPAC Namedichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
SMILESCC(C)c1ccc(P(=S)(Cl)Cl)cc1
InChIInChI=1S/C9H11Cl2PS/c1-7(2)8-3-5-9(6-4-8)12(10,11)13/h3-7H,1-2H3
InChIKeyZIUZECQRULRIAY-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane (CID 141230622) is dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane is CC(C)c1ccc(P(=S)(Cl)Cl)cc1.
What is the InChIKey of dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The InChIKey is ZIUZECQRULRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2PS/c1-7(2)8-3-5-9(6-4-8)12(10,11)13/h3-7H,1-2H3.
What are the key properties of dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane has a molecular weight of 253.13 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).