2-(methyldisulfanyl)thiophene

C5H6S3 — CID 45272211

IUPAC2-(methyldisulfanyl)thiophene
SMILESCSSc1cccs1
InChIInChI=1S/C5H6S3/c1-6-8-5-3-2-4-7-5/h2-4H,1H3
InChIKeyWRASPQWAKZMYQU-UHFFFAOYSA-N
MW162.30 g/mol
LogP3.12
Rot. Bonds2

About 2-(methyldisulfanyl)thiophene

2-(methyldisulfanyl)thiophene (PubChem CID 45272211) has the molecular formula C5H6S3 and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-(methyldisulfanyl)thiophene.

Molecular Properties

Compound Name2-(methyldisulfanyl)thiophene
PubChem CID45272211
Molecular FormulaC5H6S3
Molecular Weight162.30 g/mol
Exact Mass161.96
IUPAC Name2-(methyldisulfanyl)thiophene
SMILESCSSc1cccs1
InChIInChI=1S/C5H6S3/c1-6-8-5-3-2-4-7-5/h2-4H,1H3
InChIKeyWRASPQWAKZMYQU-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 53.12
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-(methyldisulfanyl)thiophene?
The IUPAC name of 2-(methyldisulfanyl)thiophene (CID 45272211) is 2-(methyldisulfanyl)thiophene.
What is the SMILES notation for 2-(methyldisulfanyl)thiophene?
The canonical SMILES for 2-(methyldisulfanyl)thiophene is CSSc1cccs1.
What is the InChIKey of 2-(methyldisulfanyl)thiophene?
The InChIKey is WRASPQWAKZMYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S3/c1-6-8-5-3-2-4-7-5/h2-4H,1H3.
What are the key properties of 2-(methyldisulfanyl)thiophene?
2-(methyldisulfanyl)thiophene has a molecular weight of 162.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldisulfanyl)thiophene is sourced from PubChem (CID 45272211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).