cyclopentane-1,2,4-trithiol

C5H10S3 — CID 141308995

IUPACcyclopentane-1,2,4-trithiol
SMILESSC1CC(S)C(S)C1
InChIInChI=1S/C5H10S3/c6-3-1-4(7)5(8)2-3/h3-8H,1-2H2
InChIKeyCXQKQMRFQWKXNK-UHFFFAOYSA-N
MW166.34 g/mol
LogP1.68
Rot. Bonds

About cyclopentane-1,2,4-trithiol

cyclopentane-1,2,4-trithiol (PubChem CID 141308995) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is cyclopentane-1,2,4-trithiol.

Molecular Properties

Compound Namecyclopentane-1,2,4-trithiol
PubChem CID141308995
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Namecyclopentane-1,2,4-trithiol
SMILESSC1CC(S)C(S)C1
InChIInChI=1S/C5H10S3/c6-3-1-4(7)5(8)2-3/h3-8H,1-2H2
InChIKeyCXQKQMRFQWKXNK-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'}

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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
Trisulfanylcyclopentane
CID 141499006
2,5-Bis(sulfanyl)cyclopentane-1-thione
CID 141756638
3-Sulfanylcyclopentane-1-thione
CID 141930319
Cyclopentane-1,2,3-trithiol
CID 154159890
trans-(1R,3R)-cyclopentane-1,3-dithiol
CID 166953559

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,2,4-trithiol?
The IUPAC name of cyclopentane-1,2,4-trithiol (CID 141308995) is cyclopentane-1,2,4-trithiol.
What is the SMILES notation for cyclopentane-1,2,4-trithiol?
The canonical SMILES for cyclopentane-1,2,4-trithiol is SC1CC(S)C(S)C1.
What is the InChIKey of cyclopentane-1,2,4-trithiol?
The InChIKey is CXQKQMRFQWKXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c6-3-1-4(7)5(8)2-3/h3-8H,1-2H2.
What are the key properties of cyclopentane-1,2,4-trithiol?
cyclopentane-1,2,4-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-1,2,4-trithiol is sourced from PubChem (CID 141308995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).