2-benzylsulfanyl-4-methylbenzenecarboximidamide

C15H16N2S — CID 62307832

IUPAC2-benzylsulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1SCc1ccccc1
InChIInChI=1S/C15H16N2S/c1-11-7-8-13(15(16)17)14(9-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyQLVRSYQOKRLVAL-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.57
Rot. Bonds4

About 2-benzylsulfanyl-4-methylbenzenecarboximidamide

2-benzylsulfanyl-4-methylbenzenecarboximidamide (PubChem CID 62307832) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-benzylsulfanyl-4-methylbenzenecarboximidamide
PubChem CID62307832
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-benzylsulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1SCc1ccccc1
InChIInChI=1S/C15H16N2S/c1-11-7-8-13(15(16)17)14(9-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyQLVRSYQOKRLVAL-UHFFFAOYSA-N
XLogP3.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzylsulfanyl-4-methylbenzenecarboximidamide 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-benzylsulfanyl-2-methylbenzenecarboximidamide
CID 81276349
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
2-bromo-3-fluoro-4-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 107537096
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
CID 62307762
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
5-fluoro-2-[(3-methylphenyl)methylsulfanylmethyl]benzenecarboximidamide
CID 63291473
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-methylbenzenecarboximidamide?
The IUPAC name of 2-benzylsulfanyl-4-methylbenzenecarboximidamide (CID 62307832) is 2-benzylsulfanyl-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-benzylsulfanyl-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-benzylsulfanyl-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-4-methylbenzenecarboximidamide?
The InChIKey is QLVRSYQOKRLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-7-8-13(15(16)17)14(9-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17).
What are the key properties of 2-benzylsulfanyl-4-methylbenzenecarboximidamide?
2-benzylsulfanyl-4-methylbenzenecarboximidamide has a molecular weight of 256.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).