N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide

C10H10F3NS — CID 73054334

IUPACN,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)C(=S)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NS/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3
InChIKeyDQCCCMOVOMNZHS-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.94
Rot. Bonds1

About N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide

N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide (PubChem CID 73054334) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide
PubChem CID73054334
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)C(=S)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NS/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3
InChIKeyDQCCCMOVOMNZHS-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide (CID 73054334) is N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide is CN(C)C(=S)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide?
The InChIKey is DQCCCMOVOMNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide?
N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide has a molecular weight of 233.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)benzenecarbothioamide is sourced from PubChem (CID 73054334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).