2-methyl-5-methylsulfanylbenzamide

C9H11NOS — CID 43244706

IUPAC2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyPTZIWVCKDIQQLB-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-5-methylsulfanylbenzamide

2-methyl-5-methylsulfanylbenzamide (PubChem CID 43244706) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanylbenzamide
PubChem CID43244706
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyPTZIWVCKDIQQLB-UHFFFAOYSA-N
XLogP1.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of 2-methyl-5-methylsulfanylbenzamide (CID 43244706) is 2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for 2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 2-methyl-5-methylsulfanylbenzamide?
The InChIKey is PTZIWVCKDIQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 2-methyl-5-methylsulfanylbenzamide?
2-methyl-5-methylsulfanylbenzamide has a molecular weight of 181.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 43244706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).