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

C10H10F3NS2 — CID 58219874

IUPAC[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-6-4-3-5-7(8)10(11,12)13/h3-6H,1-2H3
InChIKeyQDAIENSJVHJMFI-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.64
Rot. Bonds1

About [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate

[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate (PubChem CID 58219874) has the molecular formula C10H10F3NS2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
PubChem CID58219874
Molecular FormulaC10H10F3NS2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-6-4-3-5-7(8)10(11,12)13/h3-6H,1-2H3
InChIKeyQDAIENSJVHJMFI-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate (CID 58219874) is [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
The InChIKey is QDAIENSJVHJMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS2/c1-14(2)9(15)16-8-6-4-3-5-7(8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate?
[2-(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 [2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 58219874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).