cyclopentane-1,2,3-trithiol

C5H10S3 — CID 154159890

IUPACcyclopentane-1,2,3-trithiol
SMILESSC1CCC(S)C1S
InChIInChI=1S/C5H10S3/c6-3-1-2-4(7)5(3)8/h3-8H,1-2H2
InChIKeyJLCMKZNDOZSTPV-UHFFFAOYSA-N
MW166.34 g/mol
LogP1.68
Rot. Bonds

About cyclopentane-1,2,3-trithiol

cyclopentane-1,2,3-trithiol (PubChem CID 154159890) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is cyclopentane-1,2,3-trithiol.

Molecular Properties

Compound Namecyclopentane-1,2,3-trithiol
PubChem CID154159890
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Namecyclopentane-1,2,3-trithiol
SMILESSC1CCC(S)C1S
InChIInChI=1S/C5H10S3/c6-3-1-2-4(7)5(3)8/h3-8H,1-2H2
InChIKeyJLCMKZNDOZSTPV-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopentane-1,2,3-trithiol with MolForge

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

Launch Full Analysis

Related Compounds

Cyclopentanethiol
CID 15510
1,2-Dimercaptocyclopentane
CID 12371414
trans-(1R,2R)-cyclopentane-1,2-dithiol
CID 12371415
Disulfanylcyclopentane
CID 19832725
Cyclopentane-1,3-dithiol
CID 87063724
cis-(1R,3S)-cyclopentane-1,3-dithiol
CID 130279587
Cyclopentane-1,1,2-trithiol
CID 141308098
Cyclopentane-1,2,4-trithiol
CID 141308995
Trisulfanylcyclopentane
CID 141499006
2,5-Bis(sulfanyl)cyclopentane-1-thione
CID 141756638
3-Sulfanylcyclopentane-1-thione
CID 141930319
trans-(1R,3R)-cyclopentane-1,3-dithiol
CID 166953559

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,2,3-trithiol?
The IUPAC name of cyclopentane-1,2,3-trithiol (CID 154159890) is cyclopentane-1,2,3-trithiol.
What is the SMILES notation for cyclopentane-1,2,3-trithiol?
The canonical SMILES for cyclopentane-1,2,3-trithiol is SC1CCC(S)C1S.
What is the InChIKey of cyclopentane-1,2,3-trithiol?
The InChIKey is JLCMKZNDOZSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c6-3-1-2-4(7)5(3)8/h3-8H,1-2H2.
What are the key properties of cyclopentane-1,2,3-trithiol?
cyclopentane-1,2,3-trithiol has a molecular weight of 166.34 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,2,3-trithiol is sourced from PubChem (CID 154159890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).