lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane

C10H21LiS3 — CID 135083944

IUPAClithium 1-[bis(propylsulfanyl)methylsulfanyl]propane
SMILESCCCS[C-](SCCC)SCCC.[Li+]
InChIInChI=1S/C10H21S3.Li/c1-4-7-11-10(12-8-5-2)13-9-6-3;/h4-9H2,1-3H3;/q-1;+1
InChIKeyONHMZYOXGNZIMQ-UHFFFAOYSA-N
MW244.42 g/mol
LogP1.87
Rot. Bonds9

About lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane

lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane (PubChem CID 135083944) has the molecular formula C10H21LiS3 and a molecular weight of 244.42 g/mol. Its IUPAC name is lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane.

Molecular Properties

Compound Namelithium 1-[bis(propylsulfanyl)methylsulfanyl]propane
PubChem CID135083944
Molecular FormulaC10H21LiS3
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Namelithium 1-[bis(propylsulfanyl)methylsulfanyl]propane
SMILESCCCS[C-](SCCC)SCCC.[Li+]
InChIInChI=1S/C10H21S3.Li/c1-4-7-11-10(12-8-5-2)13-9-6-3;/h4-9H2,1-3H3;/q-1;+1
InChIKeyONHMZYOXGNZIMQ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane 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 lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane?
The IUPAC name of lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane (CID 135083944) is lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane.
What is the SMILES notation for lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane?
The canonical SMILES for lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane is CCCS[C-](SCCC)SCCC.[Li+].
What is the InChIKey of lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane?
The InChIKey is ONHMZYOXGNZIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21S3.Li/c1-4-7-11-10(12-8-5-2)13-9-6-3;/h4-9H2,1-3H3;/q-1;+1.
What are the key properties of lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane?
lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane has a molecular weight of 244.42 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane is sourced from PubChem (CID 135083944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).