4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

C15H16N2O2S — CID 81302483

IUPAC4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O2S/c1-18-10-3-6-12(7-4-10)20-14-9-11(19-2)5-8-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17)
InChIKeyMTWPFYTVWNWKCX-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.14
Rot. Bonds5

About 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 81302483) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID81302483
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O2S/c1-18-10-3-6-12(7-4-10)20-14-9-11(19-2)5-8-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17)
InChIKeyMTWPFYTVWNWKCX-UHFFFAOYSA-N
XLogP3.14
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.14
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'}

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Related Compounds

4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
4-methoxy-2-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 81299483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 81302483) is 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is MTWPFYTVWNWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-10-3-6-12(7-4-10)20-14-9-11(19-2)5-8-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17).
What are the key properties of 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 288.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 81302483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).