N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide

C15H16N2OS — CID 123441258

IUPACN'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide
SMILESCc1cc(Sc2cccc(O)c2)c(C)cc1/N=C/N
InChIInChI=1S/C15H16N2OS/c1-10-7-15(11(2)6-14(10)17-9-16)19-13-5-3-4-12(18)8-13/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyVZMXYKSONNHFPD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.78
Rot. Bonds3

About N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide

N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide (PubChem CID 123441258) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide.

Molecular Properties

Compound NameN'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide
PubChem CID123441258
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide
SMILESCc1cc(Sc2cccc(O)c2)c(C)cc1/N=C/N
InChIInChI=1S/C15H16N2OS/c1-10-7-15(11(2)6-14(10)17-9-16)19-13-5-3-4-12(18)8-13/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyVZMXYKSONNHFPD-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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'}

Analyze N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide 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

[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene
CID 20746559
3-(4-methylphenyl)sulfanylphenol
CID 20780501
3-(3-methyl-2-nitrophenyl)sulfanylphenol
CID 114041920
3-(2,5-diaminophenyl)sulfanylphenol
CID 118873663
N'-[2,5-dimethyl-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]sulfanylphenyl]-N-ethyl-N-methylmethanimidamide
CID 71722739
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]phenol
CID 114448832
3-naphthalen-1-ylsulfanylphenol
CID 126704011
2-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-1-ethyl-1-methylguanidine
CID 175046320
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967
methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
CID 170707186
bis(3-methylsulfanylphenol);zirconium
CID 174409712
4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide?
The IUPAC name of N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide (CID 123441258) is N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide.
What is the SMILES notation for N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide?
The canonical SMILES for N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide is Cc1cc(Sc2cccc(O)c2)c(C)cc1/N=C/N.
What is the InChIKey of N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide?
The InChIKey is VZMXYKSONNHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-7-15(11(2)6-14(10)17-9-16)19-13-5-3-4-12(18)8-13/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide?
N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide has a molecular weight of 272.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide is sourced from PubChem (CID 123441258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).