[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate

C10H10F3NS2 — CID 86082728

IUPAC[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyYOAKYAOXLCSHIU-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.64
Rot. Bonds1

About [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate

[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate (PubChem CID 86082728) has the molecular formula C10H10F3NS2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
PubChem CID86082728
Molecular FormulaC10H10F3NS2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyYOAKYAOXLCSHIU-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate 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

Benzyl dimethyldithiocarbamate
CID 81664
3-Trifluoromethylthioanisole
CID 2760784
1-Methyl-3-[(trifluoromethyl)sulfanyl]benzene
CID 15517421
Dimethylthiocarbamic acid S-[4-(trifluoromethyl)phenyl] ester
CID 19794848
[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 58219874
S-[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 21161803
(4-fluorophenyl) N,N-dimethylcarbamodithioate
CID 131852205
(3-fluorophenyl) N,N-dimethylcarbamodithioate
CID 138969679
[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 155936768
(3,4-difluorophenyl) N,N-dimethylcarbamodithioate
CID 155936820
Carbamodithioic acid, dimethyl-, 4-methylphenyl ester
CID 11805987
(4-methylphenyl) N,N-diethylcarbamodithioate
CID 13816617

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate (CID 86082728) is [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The InChIKey is YOAKYAOXLCSHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate has a molecular weight of 265.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 86082728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).