2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol

C8H7F2NOS — CID 123535189

IUPAC2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol
SMILESC=Nc1cc(F)c(O)c(F)c1SC
InChIInChI=1S/C8H7F2NOS/c1-11-5-3-4(9)7(12)6(10)8(5)13-2/h3,12H,1H2,2H3
InChIKeyOPKZPTYWAIJRGF-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.72
Rot. Bonds2

About 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol

2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol (PubChem CID 123535189) has the molecular formula C8H7F2NOS and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol.

Molecular Properties

Compound Name2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol
PubChem CID123535189
Molecular FormulaC8H7F2NOS
Molecular Weight203.21 g/mol
Exact Mass203.02
IUPAC Name2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol
SMILESC=Nc1cc(F)c(O)c(F)c1SC
InChIInChI=1S/C8H7F2NOS/c1-11-5-3-4(9)7(12)6(10)8(5)13-2/h3,12H,1H2,2H3
InChIKeyOPKZPTYWAIJRGF-UHFFFAOYSA-N
XLogP2.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-(methylsulfanyl)phenol
CID 19048349
3-(2,2-Difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol
CID 144830569
2H-1,4-benzothiazin-7-ol
CID 70259300
1-Oxo-1,3-benzothiazol-6-ol
CID 140970655
N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride
CID 142968928
4-(Methylideneamino)-3-methylsulfanylphenol
CID 144487640
2-[5-Hydroxy-2-(methylideneamino)phenyl]sulfanylacetonitrile
CID 144897548
3-(Aminomethylsulfanyl)-4-(methylideneamino)phenol
CID 162380472

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol?
The IUPAC name of 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol (CID 123535189) is 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol.
What is the SMILES notation for 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol?
The canonical SMILES for 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol is C=Nc1cc(F)c(O)c(F)c1SC.
What is the InChIKey of 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol?
The InChIKey is OPKZPTYWAIJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NOS/c1-11-5-3-4(9)7(12)6(10)8(5)13-2/h3,12H,1H2,2H3.
What are the key properties of 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol?
2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol has a molecular weight of 203.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol is sourced from PubChem (CID 123535189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).