3-methylsulfanylthiophene

C5H6S2 — CID 519806

IUPAC3-methylsulfanylthiophene
SMILESCSc1ccsc1
InChIInChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKeyOTYBVBDWIKXFDO-UHFFFAOYSA-N
MW130.24 g/mol
LogP2.47
Rot. Bonds1

About 3-methylsulfanylthiophene

3-methylsulfanylthiophene (PubChem CID 519806) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 3-methylsulfanylthiophene.

Molecular Properties

Compound Name3-methylsulfanylthiophene
PubChem CID519806
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name3-methylsulfanylthiophene
SMILESCSc1ccsc1
InChIInChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKeyOTYBVBDWIKXFDO-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylthiophene?
The IUPAC name of 3-methylsulfanylthiophene (CID 519806) is 3-methylsulfanylthiophene.
What is the SMILES notation for 3-methylsulfanylthiophene?
The canonical SMILES for 3-methylsulfanylthiophene is CSc1ccsc1.
What is the InChIKey of 3-methylsulfanylthiophene?
The InChIKey is OTYBVBDWIKXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3.
What are the key properties of 3-methylsulfanylthiophene?
3-methylsulfanylthiophene has a molecular weight of 130.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylthiophene is sourced from PubChem (CID 519806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).