2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane

C6H13PS3 — CID 15419605

IUPAC2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane
SMILESCC(C)(C)P1(=S)SCCS1
InChIInChI=1S/C6H13PS3/c1-6(2,3)7(8)9-4-5-10-7/h4-5H2,1-3H3
InChIKeyFWVBUDSZNBZLRZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.57
Rot. Bonds

About 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane

2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane (PubChem CID 15419605) has the molecular formula C6H13PS3 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane.

Molecular Properties

Compound Name2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane
PubChem CID15419605
Molecular FormulaC6H13PS3
Molecular Weight212.34 g/mol
Exact Mass211.99
IUPAC Name2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane
SMILESCC(C)(C)P1(=S)SCCS1
InChIInChI=1S/C6H13PS3/c1-6(2,3)7(8)9-4-5-10-7/h4-5H2,1-3H3
InChIKeyFWVBUDSZNBZLRZ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane 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 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane?
The IUPAC name of 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane (CID 15419605) is 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane.
What is the SMILES notation for 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane?
The canonical SMILES for 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane is CC(C)(C)P1(=S)SCCS1.
What is the InChIKey of 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane?
The InChIKey is FWVBUDSZNBZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13PS3/c1-6(2,3)7(8)9-4-5-10-7/h4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane?
2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane has a molecular weight of 212.34 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-sulfanylidene-1,3,2lambda5-dithiaphospholane is sourced from PubChem (CID 15419605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).