3-methylsulfinyl-2H-chromene

C10H10O2S — CID 11991260

IUPAC3-methylsulfinyl-2H-chromene
SMILESCS(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C10H10O2S/c1-13(11)9-6-8-4-2-3-5-10(8)12-7-9/h2-6H,7H2,1H3
InChIKeyFMINLIMWNAIZEM-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.80
Rot. Bonds1

About 3-methylsulfinyl-2H-chromene

3-methylsulfinyl-2H-chromene (PubChem CID 11991260) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-methylsulfinyl-2H-chromene.

Molecular Properties

Compound Name3-methylsulfinyl-2H-chromene
PubChem CID11991260
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name3-methylsulfinyl-2H-chromene
SMILESCS(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C10H10O2S/c1-13(11)9-6-8-4-2-3-5-10(8)12-7-9/h2-6H,7H2,1H3
InChIKeyFMINLIMWNAIZEM-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-2H-chromene?
The IUPAC name of 3-methylsulfinyl-2H-chromene (CID 11991260) is 3-methylsulfinyl-2H-chromene.
What is the SMILES notation for 3-methylsulfinyl-2H-chromene?
The canonical SMILES for 3-methylsulfinyl-2H-chromene is CS(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of 3-methylsulfinyl-2H-chromene?
The InChIKey is FMINLIMWNAIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-13(11)9-6-8-4-2-3-5-10(8)12-7-9/h2-6H,7H2,1H3.
What are the key properties of 3-methylsulfinyl-2H-chromene?
3-methylsulfinyl-2H-chromene has a molecular weight of 194.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-2H-chromene is sourced from PubChem (CID 11991260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).