2-[4-(4-aminophenyl)sulfanylphenyl]guanidine

C13H14N4S — CID 44549237

IUPAC2-[4-(4-aminophenyl)sulfanylphenyl]guanidine
SMILESNC(N)=Nc1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N4S/c14-9-1-5-11(6-2-9)18-12-7-3-10(4-8-12)17-13(15)16/h1-8H,14H2,(H4,15,16,17)
InChIKeyJZRUMRGORFVNAP-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.32
Rot. Bonds3

About 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine

2-[4-(4-aminophenyl)sulfanylphenyl]guanidine (PubChem CID 44549237) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)sulfanylphenyl]guanidine
PubChem CID44549237
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-[4-(4-aminophenyl)sulfanylphenyl]guanidine
SMILESNC(N)=Nc1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N4S/c14-9-1-5-11(6-2-9)18-12-7-3-10(4-8-12)17-13(15)16/h1-8H,14H2,(H4,15,16,17)
InChIKeyJZRUMRGORFVNAP-UHFFFAOYSA-N
XLogP2.32
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine?
The IUPAC name of 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine (CID 44549237) is 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine.
What is the SMILES notation for 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine?
The canonical SMILES for 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine is NC(N)=Nc1ccc(Sc2ccc(N)cc2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine?
The InChIKey is JZRUMRGORFVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c14-9-1-5-11(6-2-9)18-12-7-3-10(4-8-12)17-13(15)16/h1-8H,14H2,(H4,15,16,17).
What are the key properties of 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine?
2-[4-(4-aminophenyl)sulfanylphenyl]guanidine has a molecular weight of 258.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)sulfanylphenyl]guanidine is sourced from PubChem (CID 44549237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).