N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide

C15H16N2OS — CID 81281971

IUPACN'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2ccc(/C(N)=N/O)c(C)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-5-12(6-4-10)19-13-7-8-14(11(2)9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyJHKJRYQFBLOACK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.55
Rot. Bonds3

About N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide

N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 81281971) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
PubChem CID81281971
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2ccc(/C(N)=N/O)c(C)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-5-12(6-4-10)19-13-7-8-14(11(2)9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyJHKJRYQFBLOACK-UHFFFAOYSA-N
XLogP3.55
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.55
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277840
N'-hydroxy-2-methyl-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 81273221
4-tert-butylsulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81282217
2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 55152258
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
2-bromo-4-(3,4-dimethylphenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536968
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide
CID 136924949
2-[4-(4-methylphenyl)sulfanylphenyl]guanidine
CID 3012610

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide (CID 81281971) is N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide is Cc1ccc(Sc2ccc(/C(N)=N/O)c(C)c2)cc1.
What is the InChIKey of N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is JHKJRYQFBLOACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-3-5-12(6-4-10)19-13-7-8-14(11(2)9-13)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide?
N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 272.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 81281971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).