2-methylthiolane-3-thiol

C5H10S2 — CID 524170

IUPAC2-methylthiolane-3-thiol
SMILESCC1SCCC1S
InChIInChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKeyDPEXPKGKIRGPKJ-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.81
Rot. Bonds

About 2-methylthiolane-3-thiol

2-methylthiolane-3-thiol (PubChem CID 524170) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2-methylthiolane-3-thiol.

Molecular Properties

Compound Name2-methylthiolane-3-thiol
PubChem CID524170
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2-methylthiolane-3-thiol
SMILESCC1SCCC1S
InChIInChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKeyDPEXPKGKIRGPKJ-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylthiolane-3-thiol 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-methylthiolane-3-thiol?
The IUPAC name of 2-methylthiolane-3-thiol (CID 524170) is 2-methylthiolane-3-thiol.
What is the SMILES notation for 2-methylthiolane-3-thiol?
The canonical SMILES for 2-methylthiolane-3-thiol is CC1SCCC1S.
What is the InChIKey of 2-methylthiolane-3-thiol?
The InChIKey is DPEXPKGKIRGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-methylthiolane-3-thiol?
2-methylthiolane-3-thiol has a molecular weight of 134.27 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolane-3-thiol is sourced from PubChem (CID 524170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).