1-hydroxy-2-(2-methylsulfanylphenyl)guanidine

C8H11N3OS — CID 107646016

IUPAC1-hydroxy-2-(2-methylsulfanylphenyl)guanidine
SMILESCSc1ccccc1/N=C(\N)NO
InChIInChI=1S/C8H11N3OS/c1-13-7-5-3-2-4-6(7)10-8(9)11-12/h2-5,12H,1H3,(H3,9,10,11)
InChIKeyFDCKQVRNWZNVDA-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.33
Rot. Bonds2

About 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine

1-hydroxy-2-(2-methylsulfanylphenyl)guanidine (PubChem CID 107646016) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(2-methylsulfanylphenyl)guanidine
PubChem CID107646016
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-hydroxy-2-(2-methylsulfanylphenyl)guanidine
SMILESCSc1ccccc1/N=C(\N)NO
InChIInChI=1S/C8H11N3OS/c1-13-7-5-3-2-4-6(7)10-8(9)11-12/h2-5,12H,1H3,(H3,9,10,11)
InChIKeyFDCKQVRNWZNVDA-UHFFFAOYSA-N
XLogP1.33
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine?
The IUPAC name of 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine (CID 107646016) is 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine is CSc1ccccc1/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine?
The InChIKey is FDCKQVRNWZNVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-13-7-5-3-2-4-6(7)10-8(9)11-12/h2-5,12H,1H3,(H3,9,10,11).
What are the key properties of 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine?
1-hydroxy-2-(2-methylsulfanylphenyl)guanidine has a molecular weight of 197.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 107646016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).