N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide

C10H10F3NS — CID 147361423

IUPACN,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)C(=S)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
InChIKeyDHIOXUZNPIPBGQ-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.94
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide

N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide (PubChem CID 147361423) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide
PubChem CID147361423
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)C(=S)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
InChIKeyDHIOXUZNPIPBGQ-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'}

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Related Compounds

(E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-ene-1-thione
CID 10999779
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
ethane;N,N,3-trimethylbenzenecarbothioamide
CID 143449435
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide (CID 147361423) is N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide is CN(C)C(=S)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide?
The InChIKey is DHIOXUZNPIPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide?
N,N-dimethyl-3-(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-3-(trifluoromethyl)benzenecarbothioamide is sourced from PubChem (CID 147361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).