4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol

C8H11NO2S — CID 122163242

IUPAC4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol
SMILESCS(C)(=O)=Nc1ccc(O)cc1
InChIInChI=1S/C8H11NO2S/c1-12(2,11)9-7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKeyNZHKRALTGNTRBA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.75
Rot. Bonds1

About 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol

4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol (PubChem CID 122163242) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol.

Molecular Properties

Compound Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol
PubChem CID122163242
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol
SMILESCS(C)(=O)=Nc1ccc(O)cc1
InChIInChI=1S/C8H11NO2S/c1-12(2,11)9-7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKeyNZHKRALTGNTRBA-UHFFFAOYSA-N
XLogP1.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol?
The IUPAC name of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol (CID 122163242) is 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol.
What is the SMILES notation for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol?
The canonical SMILES for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol is CS(C)(=O)=Nc1ccc(O)cc1.
What is the InChIKey of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol?
The InChIKey is NZHKRALTGNTRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-12(2,11)9-7-3-5-8(10)6-4-7/h3-6,10H,1-2H3.
What are the key properties of 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol?
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol has a molecular weight of 185.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenol is sourced from PubChem (CID 122163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).