2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine

C11H14N4S — CID 70624513

IUPAC2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine
SMILESC=CCSc1ccccc1C=NC(N)=NN
InChIInChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-11(12)15-13/h2-6,8H,1,7,13H2,(H2,12,15)
InChIKeyVNEQGLXQTGXWJY-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine

2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine (PubChem CID 70624513) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine.

Molecular Properties

Compound Name2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine
PubChem CID70624513
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine
SMILESC=CCSc1ccccc1C=NC(N)=NN
InChIInChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-11(12)15-13/h2-6,8H,1,7,13H2,(H2,12,15)
InChIKeyVNEQGLXQTGXWJY-UHFFFAOYSA-N
XLogP1.57
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine?
The IUPAC name of 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine (CID 70624513) is 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine.
What is the SMILES notation for 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine?
The canonical SMILES for 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine is C=CCSc1ccccc1C=NC(N)=NN.
What is the InChIKey of 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine?
The InChIKey is VNEQGLXQTGXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-11(12)15-13/h2-6,8H,1,7,13H2,(H2,12,15).
What are the key properties of 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine?
2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine has a molecular weight of 234.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2-prop-2-enylsulfanylphenyl)methylidene]guanidine is sourced from PubChem (CID 70624513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).