chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane

C6H14ClPS — CID 12935787

IUPACchloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane
SMILESCC(C)P(=S)(Cl)C(C)C
InChIInChI=1S/C6H14ClPS/c1-5(2)8(7,9)6(3)4/h5-6H,1-4H3
InChIKeyQEWBRVSEPRQYND-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.44
Rot. Bonds2

About chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane

chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 12935787) has the molecular formula C6H14ClPS and a molecular weight of 184.67 g/mol. Its IUPAC name is chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namechloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane
PubChem CID12935787
Molecular FormulaC6H14ClPS
Molecular Weight184.67 g/mol
Exact Mass184.02
IUPAC Namechloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane
SMILESCC(C)P(=S)(Cl)C(C)C
InChIInChI=1S/C6H14ClPS/c1-5(2)8(7,9)6(3)4/h5-6H,1-4H3
InChIKeyQEWBRVSEPRQYND-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.44
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 chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane (CID 12935787) is chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane is CC(C)P(=S)(Cl)C(C)C.
What is the InChIKey of chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is QEWBRVSEPRQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS/c1-5(2)8(7,9)6(3)4/h5-6H,1-4H3.
What are the key properties of chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane?
chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 184.67 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-di(propan-2-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12935787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).