3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol

C13H10ClNOS — CID 136677233

IUPAC3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol
SMILESOc1cccc(Cl)c1/C=N/c1ccccc1S
InChIInChI=1S/C13H10ClNOS/c14-10-4-3-6-12(16)9(10)8-15-11-5-1-2-7-13(11)17/h1-8,16-17H/b15-8+
InChIKeyAWWQUVJUISDVCU-OVCLIPMQSA-N
MW263.75 g/mol
LogP4.08
Rot. Bonds2

About 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol

3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol (PubChem CID 136677233) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol
PubChem CID136677233
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol
SMILESOc1cccc(Cl)c1/C=N/c1ccccc1S
InChIInChI=1S/C13H10ClNOS/c14-10-4-3-6-12(16)9(10)8-15-11-5-1-2-7-13(11)17/h1-8,16-17H/b15-8+
InChIKeyAWWQUVJUISDVCU-OVCLIPMQSA-N
XLogP4.08
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol?
The IUPAC name of 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol (CID 136677233) is 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol?
The canonical SMILES for 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol is Oc1cccc(Cl)c1/C=N/c1ccccc1S.
What is the InChIKey of 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol?
The InChIKey is AWWQUVJUISDVCU-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-4-3-6-12(16)9(10)8-15-11-5-1-2-7-13(11)17/h1-8,16-17H/b15-8+.
What are the key properties of 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol?
3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol has a molecular weight of 263.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-sulfanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136677233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).