2-chloro-1,3,5-trimethylbenzene;sulfur dioxide

C9H11ClO2S — CID 70454194

IUPAC2-chloro-1,3,5-trimethylbenzene;sulfur dioxide
SMILESCc1cc(C)c(Cl)c(C)c1.O=S=O
InChIInChI=1S/C9H11Cl.O2S/c1-6-4-7(2)9(10)8(3)5-6;1-3-2/h4-5H,1-3H3;
InChIKeyXGHQPUKUQIJNAP-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.60
Rot. Bonds

About 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide

2-chloro-1,3,5-trimethylbenzene;sulfur dioxide (PubChem CID 70454194) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide.

Molecular Properties

Compound Name2-chloro-1,3,5-trimethylbenzene;sulfur dioxide
PubChem CID70454194
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name2-chloro-1,3,5-trimethylbenzene;sulfur dioxide
SMILESCc1cc(C)c(Cl)c(C)c1.O=S=O
InChIInChI=1S/C9H11Cl.O2S/c1-6-4-7(2)9(10)8(3)5-6;1-3-2/h4-5H,1-3H3;
InChIKeyXGHQPUKUQIJNAP-UHFFFAOYSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide?
The IUPAC name of 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide (CID 70454194) is 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide.
What is the SMILES notation for 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide?
The canonical SMILES for 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide is Cc1cc(C)c(Cl)c(C)c1.O=S=O.
What is the InChIKey of 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide?
The InChIKey is XGHQPUKUQIJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.O2S/c1-6-4-7(2)9(10)8(3)5-6;1-3-2/h4-5H,1-3H3;.
What are the key properties of 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide?
2-chloro-1,3,5-trimethylbenzene;sulfur dioxide has a molecular weight of 218.70 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,5-trimethylbenzene;sulfur dioxide is sourced from PubChem (CID 70454194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).