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

C6H15PS2 — CID 15198946

IUPACdi(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)P(=S)(S)C(C)C
InChIInChI=1S/C6H15PS2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyYSHTZZFGMXAZTP-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.13
Rot. Bonds2

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

di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 15198946) has the molecular formula C6H15PS2 and a molecular weight of 182.29 g/mol. Its IUPAC name is di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedi(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID15198946
Molecular FormulaC6H15PS2
Molecular Weight182.29 g/mol
Exact Mass182.04
IUPAC Namedi(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)P(=S)(S)C(C)C
InChIInChI=1S/C6H15PS2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyYSHTZZFGMXAZTP-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane (CID 15198946) is di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane is CC(C)P(=S)(S)C(C)C.
What is the InChIKey of di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is YSHTZZFGMXAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3,(H,8,9).
What are the key properties of di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane?
di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 182.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 15198946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).