2-methyl-1,3,5-tris(methylsulfinyl)benzene

C10H14O3S3 — CID 91011664

IUPAC2-methyl-1,3,5-tris(methylsulfinyl)benzene
SMILESCc1c(S(C)=O)cc(S(C)=O)cc1S(C)=O
InChIInChI=1S/C10H14O3S3/c1-7-9(15(3)12)5-8(14(2)11)6-10(7)16(4)13/h5-6H,1-4H3
InChIKeyVGWJUVMBPNXJAB-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-1,3,5-tris(methylsulfinyl)benzene

2-methyl-1,3,5-tris(methylsulfinyl)benzene (PubChem CID 91011664) has the molecular formula C10H14O3S3 and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-1,3,5-tris(methylsulfinyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3,5-tris(methylsulfinyl)benzene
PubChem CID91011664
Molecular FormulaC10H14O3S3
Molecular Weight278.42 g/mol
Exact Mass278.01
IUPAC Name2-methyl-1,3,5-tris(methylsulfinyl)benzene
SMILESCc1c(S(C)=O)cc(S(C)=O)cc1S(C)=O
InChIInChI=1S/C10H14O3S3/c1-7-9(15(3)12)5-8(14(2)11)6-10(7)16(4)13/h5-6H,1-4H3
InChIKeyVGWJUVMBPNXJAB-UHFFFAOYSA-N
XLogP1.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,5-tris(methylsulfinyl)benzene?
The IUPAC name of 2-methyl-1,3,5-tris(methylsulfinyl)benzene (CID 91011664) is 2-methyl-1,3,5-tris(methylsulfinyl)benzene.
What is the SMILES notation for 2-methyl-1,3,5-tris(methylsulfinyl)benzene?
The canonical SMILES for 2-methyl-1,3,5-tris(methylsulfinyl)benzene is Cc1c(S(C)=O)cc(S(C)=O)cc1S(C)=O.
What is the InChIKey of 2-methyl-1,3,5-tris(methylsulfinyl)benzene?
The InChIKey is VGWJUVMBPNXJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S3/c1-7-9(15(3)12)5-8(14(2)11)6-10(7)16(4)13/h5-6H,1-4H3.
What are the key properties of 2-methyl-1,3,5-tris(methylsulfinyl)benzene?
2-methyl-1,3,5-tris(methylsulfinyl)benzene has a molecular weight of 278.42 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,5-tris(methylsulfinyl)benzene is sourced from PubChem (CID 91011664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).