2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide

C15H16N2OS — CID 62306987

IUPAC2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1cccc(OC)c1
InChIInChI=1S/C15H16N2OS/c1-10-6-7-13(15(16)17)14(8-10)19-12-5-3-4-11(9-12)18-2/h3-9H,1-2H3,(H3,16,17)
InChIKeyLJUNMBYHKOQKMW-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide

2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide (PubChem CID 62306987) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
PubChem CID62306987
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1cccc(OC)c1
InChIInChI=1S/C15H16N2OS/c1-10-6-7-13(15(16)17)14(8-10)19-12-5-3-4-11(9-12)18-2/h3-9H,1-2H3,(H3,16,17)
InChIKeyLJUNMBYHKOQKMW-UHFFFAOYSA-N
XLogP3.44
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.44
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'}

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Related Compounds

4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide (CID 62306987) is 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Sc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The InChIKey is LJUNMBYHKOQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-6-7-13(15(16)17)14(8-10)19-12-5-3-4-11(9-12)18-2/h3-9H,1-2H3,(H3,16,17).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide has a molecular weight of 272.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62306987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).