2-chloro-5-(ethyldisulfanyl)thiophene

C6H7ClS3 — CID 91117303

IUPAC2-chloro-5-(ethyldisulfanyl)thiophene
SMILESCCSSc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS3/c1-2-8-10-6-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeySXMLCDWDODVGHI-UHFFFAOYSA-N
MW210.78 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-5-(ethyldisulfanyl)thiophene

2-chloro-5-(ethyldisulfanyl)thiophene (PubChem CID 91117303) has the molecular formula C6H7ClS3 and a molecular weight of 210.78 g/mol. Its IUPAC name is 2-chloro-5-(ethyldisulfanyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(ethyldisulfanyl)thiophene
PubChem CID91117303
Molecular FormulaC6H7ClS3
Molecular Weight210.78 g/mol
Exact Mass209.94
IUPAC Name2-chloro-5-(ethyldisulfanyl)thiophene
SMILESCCSSc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS3/c1-2-8-10-6-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeySXMLCDWDODVGHI-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethyldisulfanyl)thiophene?
The IUPAC name of 2-chloro-5-(ethyldisulfanyl)thiophene (CID 91117303) is 2-chloro-5-(ethyldisulfanyl)thiophene.
What is the SMILES notation for 2-chloro-5-(ethyldisulfanyl)thiophene?
The canonical SMILES for 2-chloro-5-(ethyldisulfanyl)thiophene is CCSSc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(ethyldisulfanyl)thiophene?
The InChIKey is SXMLCDWDODVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS3/c1-2-8-10-6-4-3-5(7)9-6/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-5-(ethyldisulfanyl)thiophene?
2-chloro-5-(ethyldisulfanyl)thiophene has a molecular weight of 210.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethyldisulfanyl)thiophene is sourced from PubChem (CID 91117303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).