difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane

C7H7F2NOS2 — CID 162405447

IUPACdifluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane
SMILESCSc1cccc(N=S(=O)(F)F)c1
InChIInChI=1S/C7H7F2NOS2/c1-12-7-4-2-3-6(5-7)10-13(8,9)11/h2-5H,1H3
InChIKeyNSDOPJXHUAXMMM-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.28
Rot. Bonds2

About difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane

difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane (PubChem CID 162405447) has the molecular formula C7H7F2NOS2 and a molecular weight of 223.27 g/mol. Its IUPAC name is difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedifluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane
PubChem CID162405447
Molecular FormulaC7H7F2NOS2
Molecular Weight223.27 g/mol
Exact Mass222.99
IUPAC Namedifluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane
SMILESCSc1cccc(N=S(=O)(F)F)c1
InChIInChI=1S/C7H7F2NOS2/c1-12-7-4-2-3-6(5-7)10-13(8,9)11/h2-5H,1H3
InChIKeyNSDOPJXHUAXMMM-UHFFFAOYSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane?
The IUPAC name of difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane (CID 162405447) is difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane.
What is the SMILES notation for difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane?
The canonical SMILES for difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane is CSc1cccc(N=S(=O)(F)F)c1.
What is the InChIKey of difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane?
The InChIKey is NSDOPJXHUAXMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS2/c1-12-7-4-2-3-6(5-7)10-13(8,9)11/h2-5H,1H3.
What are the key properties of difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane?
difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane has a molecular weight of 223.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(3-methylsulfanylphenyl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 162405447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).