methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid

C10H13NO2S — CID 67840089

IUPACmethyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid
SMILESCSc1ccc(N(C)C(=O)O)cc1C
InChIInChI=1S/C10H13NO2S/c1-7-6-8(11(2)10(12)13)4-5-9(7)14-3/h4-6H,1-3H3,(H,12,13)
InChIKeyLHHPJUQBKLEFBF-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.83
Rot. Bonds2

About methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid

methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid (PubChem CID 67840089) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid
PubChem CID67840089
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid
SMILESCSc1ccc(N(C)C(=O)O)cc1C
InChIInChI=1S/C10H13NO2S/c1-7-6-8(11(2)10(12)13)4-5-9(7)14-3/h4-6H,1-3H3,(H,12,13)
InChIKeyLHHPJUQBKLEFBF-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid 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 methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid?
The IUPAC name of methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid (CID 67840089) is methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid.
What is the SMILES notation for methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid?
The canonical SMILES for methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid is CSc1ccc(N(C)C(=O)O)cc1C.
What is the InChIKey of methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid?
The InChIKey is LHHPJUQBKLEFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-6-8(11(2)10(12)13)4-5-9(7)14-3/h4-6H,1-3H3,(H,12,13).
What are the key properties of methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid?
methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid has a molecular weight of 211.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methyl-4-methylsulfanylphenyl)carbamic acid is sourced from PubChem (CID 67840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).