2-amino-6-methylsulfanylbenzamide

C8H10N2OS — CID 54522754

IUPAC2-amino-6-methylsulfanylbenzamide
SMILESCSc1cccc(N)c1C(N)=O
InChIInChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyYQZJPQVLBJRIII-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-6-methylsulfanylbenzamide

2-amino-6-methylsulfanylbenzamide (PubChem CID 54522754) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-6-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-amino-6-methylsulfanylbenzamide
PubChem CID54522754
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-amino-6-methylsulfanylbenzamide
SMILESCSc1cccc(N)c1C(N)=O
InChIInChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyYQZJPQVLBJRIII-UHFFFAOYSA-N
XLogP1.09
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylsulfanylbenzamide?
The IUPAC name of 2-amino-6-methylsulfanylbenzamide (CID 54522754) is 2-amino-6-methylsulfanylbenzamide.
What is the SMILES notation for 2-amino-6-methylsulfanylbenzamide?
The canonical SMILES for 2-amino-6-methylsulfanylbenzamide is CSc1cccc(N)c1C(N)=O.
What is the InChIKey of 2-amino-6-methylsulfanylbenzamide?
The InChIKey is YQZJPQVLBJRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-6-methylsulfanylbenzamide?
2-amino-6-methylsulfanylbenzamide has a molecular weight of 182.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylsulfanylbenzamide is sourced from PubChem (CID 54522754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).