3,4-dimethyl-2-(methyldisulfanyl)thiophene

C7H10S3 — CID 22212065

IUPAC3,4-dimethyl-2-(methyldisulfanyl)thiophene
SMILESCSSc1scc(C)c1C
InChIInChI=1S/C7H10S3/c1-5-4-9-7(6(5)2)10-8-3/h4H,1-3H3
InChIKeyRGPFFCJRZNZZJL-UHFFFAOYSA-N
MW190.36 g/mol
LogP3.74
Rot. Bonds2

About 3,4-dimethyl-2-(methyldisulfanyl)thiophene

3,4-dimethyl-2-(methyldisulfanyl)thiophene (PubChem CID 22212065) has the molecular formula C7H10S3 and a molecular weight of 190.36 g/mol. Its IUPAC name is 3,4-dimethyl-2-(methyldisulfanyl)thiophene.

Molecular Properties

Compound Name3,4-dimethyl-2-(methyldisulfanyl)thiophene
PubChem CID22212065
Molecular FormulaC7H10S3
Molecular Weight190.36 g/mol
Exact Mass189.99
IUPAC Name3,4-dimethyl-2-(methyldisulfanyl)thiophene
SMILESCSSc1scc(C)c1C
InChIInChI=1S/C7H10S3/c1-5-4-9-7(6(5)2)10-8-3/h4H,1-3H3
InChIKeyRGPFFCJRZNZZJL-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.74
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 3,4-dimethyl-2-(methyldisulfanyl)thiophene?
The IUPAC name of 3,4-dimethyl-2-(methyldisulfanyl)thiophene (CID 22212065) is 3,4-dimethyl-2-(methyldisulfanyl)thiophene.
What is the SMILES notation for 3,4-dimethyl-2-(methyldisulfanyl)thiophene?
The canonical SMILES for 3,4-dimethyl-2-(methyldisulfanyl)thiophene is CSSc1scc(C)c1C.
What is the InChIKey of 3,4-dimethyl-2-(methyldisulfanyl)thiophene?
The InChIKey is RGPFFCJRZNZZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S3/c1-5-4-9-7(6(5)2)10-8-3/h4H,1-3H3.
What are the key properties of 3,4-dimethyl-2-(methyldisulfanyl)thiophene?
3,4-dimethyl-2-(methyldisulfanyl)thiophene has a molecular weight of 190.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(methyldisulfanyl)thiophene is sourced from PubChem (CID 22212065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).