2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide

C10H10F3NOS — CID 12054337

IUPAC2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide
SMILESCc1ccc(/S(C)=N/C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-7-3-5-8(6-4-7)16(2)14-9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyBPNAJYCSKHZZHY-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.87
Rot. Bonds1

About 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide

2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide (PubChem CID 12054337) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide
PubChem CID12054337
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide
SMILESCc1ccc(/S(C)=N/C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-7-3-5-8(6-4-7)16(2)14-9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyBPNAJYCSKHZZHY-UHFFFAOYSA-N
XLogP2.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

S-(4-Methylphenyl) ethanethioate
CID 82629
Acetamide, 2-(p-tolylthio)-
CID 51918
4-[(Trifluoroacetyl)thio]toluene
CID 2782430
1,1,1-Trifluoro-3-(4-methylphenyl)sulfanylpropan-2-one
CID 60722950
4-(Difluoromethylthio)toluene
CID 13297815
[(3,3,3-Trifluoro-1-propen-1-yl)thio]toluene
CID 16720496
2,2,2-trifluoro-N-[methyl(phenyl)-lambda4-sulfanylidene]acetamide
CID 85968405
beta,beta-Difluoro-4-(methylthio)styrene
CID 102110854
Methyl-methylimino-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfane
CID 137638439
Imino(methyl)(4-(trifluoromethyl)phenyl)-l6-sulfanone
CID 137661185
N-[(Perfluorobutyl)phenyl-lambda4-sulfanylidene]acetamide
CID 44185683
N-(Trifluoroacetyl)-4-methylbenzenesulfenamide
CID 9991658

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide (CID 12054337) is 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide is Cc1ccc(/S(C)=N/C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide?
The InChIKey is BPNAJYCSKHZZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-7-3-5-8(6-4-7)16(2)14-9(15)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide?
2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide has a molecular weight of 249.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[methyl-(4-methylphenyl)-lambda4-sulfanylidene]acetamide is sourced from PubChem (CID 12054337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).