2-(2-methoxyphenyl)-3-methylsulfinylthiophene

C12H12O2S2 — CID 138980199

IUPAC2-(2-methoxyphenyl)-3-methylsulfinylthiophene
SMILESCOc1ccccc1-c1sccc1S(C)=O
InChIInChI=1S/C12H12O2S2/c1-14-10-6-4-3-5-9(10)12-11(16(2)13)7-8-15-12/h3-8H,1-2H3
InChIKeyGFDDIZKBGUALBV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-methoxyphenyl)-3-methylsulfinylthiophene

2-(2-methoxyphenyl)-3-methylsulfinylthiophene (PubChem CID 138980199) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methylsulfinylthiophene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methylsulfinylthiophene
PubChem CID138980199
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name2-(2-methoxyphenyl)-3-methylsulfinylthiophene
SMILESCOc1ccccc1-c1sccc1S(C)=O
InChIInChI=1S/C12H12O2S2/c1-14-10-6-4-3-5-9(10)12-11(16(2)13)7-8-15-12/h3-8H,1-2H3
InChIKeyGFDDIZKBGUALBV-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methylsulfinylthiophene?
The IUPAC name of 2-(2-methoxyphenyl)-3-methylsulfinylthiophene (CID 138980199) is 2-(2-methoxyphenyl)-3-methylsulfinylthiophene.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methylsulfinylthiophene?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methylsulfinylthiophene is COc1ccccc1-c1sccc1S(C)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methylsulfinylthiophene?
The InChIKey is GFDDIZKBGUALBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c1-14-10-6-4-3-5-9(10)12-11(16(2)13)7-8-15-12/h3-8H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methylsulfinylthiophene?
2-(2-methoxyphenyl)-3-methylsulfinylthiophene has a molecular weight of 252.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methylsulfinylthiophene is sourced from PubChem (CID 138980199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).