2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide

C10H14N2OS — CID 106791936

IUPAC2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSC)cc1OC
InChIInChI=1S/C10H14N2OS/c1-13-9-5-7(6-14-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)
InChIKeyWIWXHXXUYYJWSU-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.84
Rot. Bonds4

About 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide

2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide (PubChem CID 106791936) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
PubChem CID106791936
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSC)cc1OC
InChIInChI=1S/C10H14N2OS/c1-13-9-5-7(6-14-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)
InChIKeyWIWXHXXUYYJWSU-UHFFFAOYSA-N
XLogP1.84
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895
4-[(4-bromophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791920
2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 106792003
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
CID 12637716
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide (CID 106791936) is 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CSC)cc1OC.
What is the InChIKey of 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is WIWXHXXUYYJWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-13-9-5-7(6-14-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3,(H3,11,12).
What are the key properties of 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide?
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 210.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 106791936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).