3-methoxy-4-methoxysulfanylbenzenecarboximidamide

C9H12N2O2S — CID 142082894

IUPAC3-methoxy-4-methoxysulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SOC)c(OC)c1
InChIInChI=1S/C9H12N2O2S/c1-12-7-5-6(9(10)11)3-4-8(7)14-13-2/h3-5H,1-2H3,(H3,10,11)
InChIKeyXGPQIGXVSVZGAB-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.63
Rot. Bonds4

About 3-methoxy-4-methoxysulfanylbenzenecarboximidamide

3-methoxy-4-methoxysulfanylbenzenecarboximidamide (PubChem CID 142082894) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-methoxy-4-methoxysulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-4-methoxysulfanylbenzenecarboximidamide
PubChem CID142082894
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-methoxy-4-methoxysulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SOC)c(OC)c1
InChIInChI=1S/C9H12N2O2S/c1-12-7-5-6(9(10)11)3-4-8(7)14-13-2/h3-5H,1-2H3,(H3,10,11)
InChIKeyXGPQIGXVSVZGAB-UHFFFAOYSA-N
XLogP1.63
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
4-[(2-methoxyphenyl)sulfanylmethyl]-3-methylbenzenecarboximidamide
CID 114484171
4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
CID 104850131
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methoxysulfanylbenzenecarboximidamide?
The IUPAC name of 3-methoxy-4-methoxysulfanylbenzenecarboximidamide (CID 142082894) is 3-methoxy-4-methoxysulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-methoxy-4-methoxysulfanylbenzenecarboximidamide?
The canonical SMILES for 3-methoxy-4-methoxysulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(SOC)c(OC)c1.
What is the InChIKey of 3-methoxy-4-methoxysulfanylbenzenecarboximidamide?
The InChIKey is XGPQIGXVSVZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-12-7-5-6(9(10)11)3-4-8(7)14-13-2/h3-5H,1-2H3,(H3,10,11).
What are the key properties of 3-methoxy-4-methoxysulfanylbenzenecarboximidamide?
3-methoxy-4-methoxysulfanylbenzenecarboximidamide has a molecular weight of 212.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methoxysulfanylbenzenecarboximidamide is sourced from PubChem (CID 142082894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).