(2-amino-6-methylphenyl)methanesulfinate

C8H10NO2S- — CID 89243020

IUPAC(2-amino-6-methylphenyl)methanesulfinate
SMILESCc1cccc(N)c1CS(=O)[O-]
InChIInChI=1S/C8H11NO2S/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5,9H2,1H3,(H,10,11)/p-1
InChIKeyUEDCQYCEXJEZHD-UHFFFAOYSA-M
MW184.24 g/mol
LogP0.96
Rot. Bonds2

About (2-amino-6-methylphenyl)methanesulfinate

(2-amino-6-methylphenyl)methanesulfinate (PubChem CID 89243020) has the molecular formula C8H10NO2S- and a molecular weight of 184.24 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)methanesulfinate.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)methanesulfinate
PubChem CID89243020
Molecular FormulaC8H10NO2S-
Molecular Weight184.24 g/mol
Exact Mass184.04
IUPAC Name(2-amino-6-methylphenyl)methanesulfinate
SMILESCc1cccc(N)c1CS(=O)[O-]
InChIInChI=1S/C8H11NO2S/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5,9H2,1H3,(H,10,11)/p-1
InChIKeyUEDCQYCEXJEZHD-UHFFFAOYSA-M
XLogP0.96
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-6-methylphenyl)methanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)methanesulfinate?
The IUPAC name of (2-amino-6-methylphenyl)methanesulfinate (CID 89243020) is (2-amino-6-methylphenyl)methanesulfinate.
What is the SMILES notation for (2-amino-6-methylphenyl)methanesulfinate?
The canonical SMILES for (2-amino-6-methylphenyl)methanesulfinate is Cc1cccc(N)c1CS(=O)[O-].
What is the InChIKey of (2-amino-6-methylphenyl)methanesulfinate?
The InChIKey is UEDCQYCEXJEZHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2S/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5,9H2,1H3,(H,10,11)/p-1.
What are the key properties of (2-amino-6-methylphenyl)methanesulfinate?
(2-amino-6-methylphenyl)methanesulfinate has a molecular weight of 184.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)methanesulfinate is sourced from PubChem (CID 89243020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).