2-methylsulfinylaniline

C7H9NOS — CID 12913076

IUPAC2-methylsulfinylaniline
SMILESCS(=O)c1ccccc1N
InChIInChI=1S/C7H9NOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKeyOGUIFELBZNMXGH-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.01
Rot. Bonds1

About 2-methylsulfinylaniline

2-methylsulfinylaniline (PubChem CID 12913076) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methylsulfinylaniline.

Molecular Properties

Compound Name2-methylsulfinylaniline
PubChem CID12913076
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-methylsulfinylaniline
SMILESCS(=O)c1ccccc1N
InChIInChI=1S/C7H9NOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKeyOGUIFELBZNMXGH-UHFFFAOYSA-N
XLogP1.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzenesulfonic acid
CID 6926
2-Aminothiophenol
CID 8713
2-Aminobenzenesulfonamide
CID 72894
4-(Methylthio)aniline
CID 66038
1,2-Bis(2-aminophenylthio)ethane
CID 92343
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
Benzenamine, 3-(methylthio)-
CID 15693
2-(Phenylthio)aniline
CID 365393
4-(Methylsulfonyl)aniline
CID 79617
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
2-Difluoromethanesulfonylaniline
CID 710593

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylaniline?
The IUPAC name of 2-methylsulfinylaniline (CID 12913076) is 2-methylsulfinylaniline.
What is the SMILES notation for 2-methylsulfinylaniline?
The canonical SMILES for 2-methylsulfinylaniline is CS(=O)c1ccccc1N.
What is the InChIKey of 2-methylsulfinylaniline?
The InChIKey is OGUIFELBZNMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3.
What are the key properties of 2-methylsulfinylaniline?
2-methylsulfinylaniline has a molecular weight of 155.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylaniline is sourced from PubChem (CID 12913076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).