1-methyl-3-methylsulfinylbenzene

C8H10OS — CID 5324187

IUPAC1-methyl-3-methylsulfinylbenzene
SMILESCc1cccc(S(C)=O)c1
InChIInChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3
InChIKeyBWKUHXQKUYHJJG-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.73
Rot. Bonds1

About 1-methyl-3-methylsulfinylbenzene

1-methyl-3-methylsulfinylbenzene (PubChem CID 5324187) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-methyl-3-methylsulfinylbenzene.

Molecular Properties

Compound Name1-methyl-3-methylsulfinylbenzene
PubChem CID5324187
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-methyl-3-methylsulfinylbenzene
SMILESCc1cccc(S(C)=O)c1
InChIInChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3
InChIKeyBWKUHXQKUYHJJG-UHFFFAOYSA-N
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfinylbenzene?
The IUPAC name of 1-methyl-3-methylsulfinylbenzene (CID 5324187) is 1-methyl-3-methylsulfinylbenzene.
What is the SMILES notation for 1-methyl-3-methylsulfinylbenzene?
The canonical SMILES for 1-methyl-3-methylsulfinylbenzene is Cc1cccc(S(C)=O)c1.
What is the InChIKey of 1-methyl-3-methylsulfinylbenzene?
The InChIKey is BWKUHXQKUYHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfinylbenzene?
1-methyl-3-methylsulfinylbenzene has a molecular weight of 154.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfinylbenzene is sourced from PubChem (CID 5324187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).