(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane

C9H7F6NOS2 — CID 162414675

IUPAC(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane
SMILESCSc1cccc(N=S(=O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NOS2/c1-18-7-4-2-3-6(5-7)16-19(17,8(10,11)12)9(13,14)15/h2-5H,1H3
InChIKeyADYGWJDBUQMPBO-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.55
Rot. Bonds2

About (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane

(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane (PubChem CID 162414675) has the molecular formula C9H7F6NOS2 and a molecular weight of 323.28 g/mol. Its IUPAC name is (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane
PubChem CID162414675
Molecular FormulaC9H7F6NOS2
Molecular Weight323.28 g/mol
Exact Mass322.99
IUPAC Name(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane
SMILESCSc1cccc(N=S(=O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NOS2/c1-18-7-4-2-3-6(5-7)16-19(17,8(10,11)12)9(13,14)15/h2-5H,1H3
InChIKeyADYGWJDBUQMPBO-UHFFFAOYSA-N
XLogP4.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
CID 20763498
1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
CID 6342932
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1-hydroxysulfanyl-3-methylsulfanylbenzene
CID 142318506
1-bromo-3-methylsulfanylbenzene
CID 2735627
3-fluoro-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226399
1,1,1-trifluoro-N-[(4-methylsulfanylphenyl)methyl]methanesulfonamide
CID 154379729
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
CID 130721988
[(4-methoxyphenyl)-bis(3-methylsulfanylphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 178004081
bis(3-methylsulfanylphenol);zirconium
CID 174409712
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
1,2,3,4,5-pentafluoro-6-(3-methylsulfanylphenyl)benzene
CID 118846725

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane?
The IUPAC name of (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane (CID 162414675) is (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane is CSc1cccc(N=S(=O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane?
The InChIKey is ADYGWJDBUQMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NOS2/c1-18-7-4-2-3-6(5-7)16-19(17,8(10,11)12)9(13,14)15/h2-5H,1H3.
What are the key properties of (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane?
(3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane has a molecular weight of 323.28 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylphenyl)imino-oxo-bis(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 162414675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).