N'-hydroxy-4-methylsulfanylbenzenecarboximidamide

C8H10N2OS — CID 6017598

IUPACN'-hydroxy-4-methylsulfanylbenzenecarboximidamide
SMILESCSc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C8H10N2OS/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyFERZLTOGCPKONO-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.50
Rot. Bonds2

About N'-hydroxy-4-methylsulfanylbenzenecarboximidamide

N'-hydroxy-4-methylsulfanylbenzenecarboximidamide (PubChem CID 6017598) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N'-hydroxy-4-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methylsulfanylbenzenecarboximidamide
PubChem CID6017598
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN'-hydroxy-4-methylsulfanylbenzenecarboximidamide
SMILESCSc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C8H10N2OS/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyFERZLTOGCPKONO-UHFFFAOYSA-N
XLogP1.50
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
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': 'oxime_1', '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 N'-hydroxy-4-methylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methylsulfanylbenzenecarboximidamide (CID 6017598) is N'-hydroxy-4-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methylsulfanylbenzenecarboximidamide is CSc1ccc(/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-4-methylsulfanylbenzenecarboximidamide?
The InChIKey is FERZLTOGCPKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-methylsulfanylbenzenecarboximidamide?
N'-hydroxy-4-methylsulfanylbenzenecarboximidamide has a molecular weight of 182.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 6017598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).