N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride

C8H8ClNOS — CID 142968928

IUPACN-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride
SMILESCSc1cc(O)ccc1/N=C/Cl
InChIInChI=1S/C8H8ClNOS/c1-12-8-4-6(11)2-3-7(8)10-5-9/h2-5,11H,1H3/b10-5+
InChIKeyJLLISMCTNUVUPV-BJMVGYQFSA-N
MW201.68 g/mol
LogP3.01
Rot. Bonds2

About N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride

N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride (PubChem CID 142968928) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride
PubChem CID142968928
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC NameN-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride
SMILESCSc1cc(O)ccc1/N=C/Cl
InChIInChI=1S/C8H8ClNOS/c1-12-8-4-6(11)2-3-7(8)10-5-9/h2-5,11H,1H3/b10-5+
InChIKeyJLLISMCTNUVUPV-BJMVGYQFSA-N
XLogP3.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride?
The IUPAC name of N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride (CID 142968928) is N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride.
What is the SMILES notation for N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride?
The canonical SMILES for N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride is CSc1cc(O)ccc1/N=C/Cl.
What is the InChIKey of N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride?
The InChIKey is JLLISMCTNUVUPV-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8ClNOS/c1-12-8-4-6(11)2-3-7(8)10-5-9/h2-5,11H,1H3/b10-5+.
What are the key properties of N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride?
N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride has a molecular weight of 201.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride is sourced from PubChem (CID 142968928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).