2-phenylsulfanylguanidine

C7H9N3S — CID 18506745

IUPAC2-phenylsulfanylguanidine
SMILESNC(N)=NSc1ccccc1
InChIInChI=1S/C7H9N3S/c8-7(9)10-11-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyVLYWUKFKWSOOOV-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.97
Rot. Bonds2

About 2-phenylsulfanylguanidine

2-phenylsulfanylguanidine (PubChem CID 18506745) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-phenylsulfanylguanidine.

Molecular Properties

Compound Name2-phenylsulfanylguanidine
PubChem CID18506745
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-phenylsulfanylguanidine
SMILESNC(N)=NSc1ccccc1
InChIInChI=1S/C7H9N3S/c8-7(9)10-11-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyVLYWUKFKWSOOOV-UHFFFAOYSA-N
XLogP0.97
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.97
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-phenylsulfanylguanidine 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-phenylsulfanylguanidine?
The IUPAC name of 2-phenylsulfanylguanidine (CID 18506745) is 2-phenylsulfanylguanidine.
What is the SMILES notation for 2-phenylsulfanylguanidine?
The canonical SMILES for 2-phenylsulfanylguanidine is NC(N)=NSc1ccccc1.
What is the InChIKey of 2-phenylsulfanylguanidine?
The InChIKey is VLYWUKFKWSOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c8-7(9)10-11-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10).
What are the key properties of 2-phenylsulfanylguanidine?
2-phenylsulfanylguanidine has a molecular weight of 167.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylguanidine is sourced from PubChem (CID 18506745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).