1,2,3-tris(methylsulfinyl)benzene

C9H12O3S3 — CID 18707368

IUPAC1,2,3-tris(methylsulfinyl)benzene
SMILESCS(=O)c1cccc(S(C)=O)c1S(C)=O
InChIInChI=1S/C9H12O3S3/c1-13(10)7-5-4-6-8(14(2)11)9(7)15(3)12/h4-6H,1-3H3
InChIKeyKZQHEOPRTIEAIM-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.90
Rot. Bonds3

About 1,2,3-tris(methylsulfinyl)benzene

1,2,3-tris(methylsulfinyl)benzene (PubChem CID 18707368) has the molecular formula C9H12O3S3 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1,2,3-tris(methylsulfinyl)benzene.

Molecular Properties

Compound Name1,2,3-tris(methylsulfinyl)benzene
PubChem CID18707368
Molecular FormulaC9H12O3S3
Molecular Weight264.39 g/mol
Exact Mass263.99
IUPAC Name1,2,3-tris(methylsulfinyl)benzene
SMILESCS(=O)c1cccc(S(C)=O)c1S(C)=O
InChIInChI=1S/C9H12O3S3/c1-13(10)7-5-4-6-8(14(2)11)9(7)15(3)12/h4-6H,1-3H3
InChIKeyKZQHEOPRTIEAIM-UHFFFAOYSA-N
XLogP0.90
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(methylsulfinyl)benzene?
The IUPAC name of 1,2,3-tris(methylsulfinyl)benzene (CID 18707368) is 1,2,3-tris(methylsulfinyl)benzene.
What is the SMILES notation for 1,2,3-tris(methylsulfinyl)benzene?
The canonical SMILES for 1,2,3-tris(methylsulfinyl)benzene is CS(=O)c1cccc(S(C)=O)c1S(C)=O.
What is the InChIKey of 1,2,3-tris(methylsulfinyl)benzene?
The InChIKey is KZQHEOPRTIEAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S3/c1-13(10)7-5-4-6-8(14(2)11)9(7)15(3)12/h4-6H,1-3H3.
What are the key properties of 1,2,3-tris(methylsulfinyl)benzene?
1,2,3-tris(methylsulfinyl)benzene has a molecular weight of 264.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(methylsulfinyl)benzene is sourced from PubChem (CID 18707368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).