3-methylsulfanylbenzamide

C8H9NOS — CID 44581297

IUPAC3-methylsulfanylbenzamide
SMILESCSc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NOS/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyYNHFIENJBOHLAF-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.51
Rot. Bonds2

About 3-methylsulfanylbenzamide

3-methylsulfanylbenzamide (PubChem CID 44581297) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-methylsulfanylbenzamide
PubChem CID44581297
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name3-methylsulfanylbenzamide
SMILESCSc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NOS/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyYNHFIENJBOHLAF-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylbenzamide?
The IUPAC name of 3-methylsulfanylbenzamide (CID 44581297) is 3-methylsulfanylbenzamide.
What is the SMILES notation for 3-methylsulfanylbenzamide?
The canonical SMILES for 3-methylsulfanylbenzamide is CSc1cccc(C(N)=O)c1.
What is the InChIKey of 3-methylsulfanylbenzamide?
The InChIKey is YNHFIENJBOHLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10).
What are the key properties of 3-methylsulfanylbenzamide?
3-methylsulfanylbenzamide has a molecular weight of 167.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylbenzamide is sourced from PubChem (CID 44581297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).