3-(3-methylbutyl)-1,3-thiazolidine-2-thione

C8H15NS2 — CID 21324721

IUPAC3-(3-methylbutyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCN1CCSC1=S
InChIInChI=1S/C8H15NS2/c1-7(2)3-4-9-5-6-11-8(9)10/h7H,3-6H2,1-2H3
InChIKeyGOPIGWAFPCQLQE-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-methylbutyl)-1,3-thiazolidine-2-thione

3-(3-methylbutyl)-1,3-thiazolidine-2-thione (PubChem CID 21324721) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 3-(3-methylbutyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(3-methylbutyl)-1,3-thiazolidine-2-thione
PubChem CID21324721
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name3-(3-methylbutyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCN1CCSC1=S
InChIInChI=1S/C8H15NS2/c1-7(2)3-4-9-5-6-11-8(9)10/h7H,3-6H2,1-2H3
InChIKeyGOPIGWAFPCQLQE-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylbutyl)-1,3-thiazolidine-2-thione 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 3-(3-methylbutyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(3-methylbutyl)-1,3-thiazolidine-2-thione (CID 21324721) is 3-(3-methylbutyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(3-methylbutyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(3-methylbutyl)-1,3-thiazolidine-2-thione is CC(C)CCN1CCSC1=S.
What is the InChIKey of 3-(3-methylbutyl)-1,3-thiazolidine-2-thione?
The InChIKey is GOPIGWAFPCQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-7(2)3-4-9-5-6-11-8(9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)-1,3-thiazolidine-2-thione?
3-(3-methylbutyl)-1,3-thiazolidine-2-thione has a molecular weight of 189.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).