2-(4-phenylsulfanylphenyl)guanidine

C13H13N3S — CID 3012613

IUPAC2-(4-phenylsulfanylphenyl)guanidine
SMILESNC(N)=Nc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C13H13N3S/c14-13(15)16-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H4,14,15,16)
InChIKeyLASAIDDIJWLKJR-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-phenylsulfanylphenyl)guanidine

2-(4-phenylsulfanylphenyl)guanidine (PubChem CID 3012613) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-(4-phenylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-phenylsulfanylphenyl)guanidine
PubChem CID3012613
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-(4-phenylsulfanylphenyl)guanidine
SMILESNC(N)=Nc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C13H13N3S/c14-13(15)16-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H4,14,15,16)
InChIKeyLASAIDDIJWLKJR-UHFFFAOYSA-N
XLogP2.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylsulfanylphenyl)guanidine?
The IUPAC name of 2-(4-phenylsulfanylphenyl)guanidine (CID 3012613) is 2-(4-phenylsulfanylphenyl)guanidine.
What is the SMILES notation for 2-(4-phenylsulfanylphenyl)guanidine?
The canonical SMILES for 2-(4-phenylsulfanylphenyl)guanidine is NC(N)=Nc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylsulfanylphenyl)guanidine?
The InChIKey is LASAIDDIJWLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c14-13(15)16-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H4,14,15,16).
What are the key properties of 2-(4-phenylsulfanylphenyl)guanidine?
2-(4-phenylsulfanylphenyl)guanidine has a molecular weight of 243.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylsulfanylphenyl)guanidine is sourced from PubChem (CID 3012613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).