3,4-bis(methylsulfanyl)thiophene

C6H8S3 — CID 11095174

IUPAC3,4-bis(methylsulfanyl)thiophene
SMILESCSc1cscc1SC
InChIInChI=1S/C6H8S3/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKeyLCTMUKRQVFWKTD-UHFFFAOYSA-N
MW176.33 g/mol
LogP3.19
Rot. Bonds2

About 3,4-bis(methylsulfanyl)thiophene

3,4-bis(methylsulfanyl)thiophene (PubChem CID 11095174) has the molecular formula C6H8S3 and a molecular weight of 176.33 g/mol. Its IUPAC name is 3,4-bis(methylsulfanyl)thiophene.

Molecular Properties

Compound Name3,4-bis(methylsulfanyl)thiophene
PubChem CID11095174
Molecular FormulaC6H8S3
Molecular Weight176.33 g/mol
Exact Mass175.98
IUPAC Name3,4-bis(methylsulfanyl)thiophene
SMILESCSc1cscc1SC
InChIInChI=1S/C6H8S3/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKeyLCTMUKRQVFWKTD-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methylsulfanyl)thiophene?
The IUPAC name of 3,4-bis(methylsulfanyl)thiophene (CID 11095174) is 3,4-bis(methylsulfanyl)thiophene.
What is the SMILES notation for 3,4-bis(methylsulfanyl)thiophene?
The canonical SMILES for 3,4-bis(methylsulfanyl)thiophene is CSc1cscc1SC.
What is the InChIKey of 3,4-bis(methylsulfanyl)thiophene?
The InChIKey is LCTMUKRQVFWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S3/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3.
What are the key properties of 3,4-bis(methylsulfanyl)thiophene?
3,4-bis(methylsulfanyl)thiophene has a molecular weight of 176.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methylsulfanyl)thiophene is sourced from PubChem (CID 11095174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).