3-methoxy-2-methylsulfinylthiophene

C6H8O2S2 — CID 162410427

IUPAC3-methoxy-2-methylsulfinylthiophene
SMILESCOc1ccsc1S(C)=O
InChIInChI=1S/C6H8O2S2/c1-8-5-3-4-9-6(5)10(2)7/h3-4H,1-2H3
InChIKeyQAXBPZGEANRBID-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.49
Rot. Bonds2

About 3-methoxy-2-methylsulfinylthiophene

3-methoxy-2-methylsulfinylthiophene (PubChem CID 162410427) has the molecular formula C6H8O2S2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methoxy-2-methylsulfinylthiophene.

Molecular Properties

Compound Name3-methoxy-2-methylsulfinylthiophene
PubChem CID162410427
Molecular FormulaC6H8O2S2
Molecular Weight176.26 g/mol
Exact Mass176.00
IUPAC Name3-methoxy-2-methylsulfinylthiophene
SMILESCOc1ccsc1S(C)=O
InChIInChI=1S/C6H8O2S2/c1-8-5-3-4-9-6(5)10(2)7/h3-4H,1-2H3
InChIKeyQAXBPZGEANRBID-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylsulfinylthiophene?
The IUPAC name of 3-methoxy-2-methylsulfinylthiophene (CID 162410427) is 3-methoxy-2-methylsulfinylthiophene.
What is the SMILES notation for 3-methoxy-2-methylsulfinylthiophene?
The canonical SMILES for 3-methoxy-2-methylsulfinylthiophene is COc1ccsc1S(C)=O.
What is the InChIKey of 3-methoxy-2-methylsulfinylthiophene?
The InChIKey is QAXBPZGEANRBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S2/c1-8-5-3-4-9-6(5)10(2)7/h3-4H,1-2H3.
What are the key properties of 3-methoxy-2-methylsulfinylthiophene?
3-methoxy-2-methylsulfinylthiophene has a molecular weight of 176.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylsulfinylthiophene is sourced from PubChem (CID 162410427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).