5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

C17H20N2OS — CID 65340490

IUPAC5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2cc(C)ccc2C)ccc1OC
InChIInChI=1S/C17H20N2OS/c1-11-4-5-12(2)16(8-11)21-10-13-6-7-15(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyLGPBXMCEKUNYRL-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.89
Rot. Bonds5

About 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (PubChem CID 65340490) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
PubChem CID65340490
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2cc(C)ccc2C)ccc1OC
InChIInChI=1S/C17H20N2OS/c1-11-4-5-12(2)16(8-11)21-10-13-6-7-15(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyLGPBXMCEKUNYRL-UHFFFAOYSA-N
XLogP3.89
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.89
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

5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340065
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (CID 65340490) is 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CSc2cc(C)ccc2C)ccc1OC.
What is the InChIKey of 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is LGPBXMCEKUNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-4-5-12(2)16(8-11)21-10-13-6-7-15(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 300.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65340490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).