2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide

C10H11F3N2OS — CID 17379180

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-1-2-7(4-8)5-17-6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyYHETVEMXNCMONM-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.93
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide

2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide (PubChem CID 17379180) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide
PubChem CID17379180
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-1-2-7(4-8)5-17-6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyYHETVEMXNCMONM-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]butanamide
CID 162676787
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]propanamide
CID 162662631
2-[(2-Methylphenyl)thio]acetic acid hydrazide
CID 21235695
2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
CID 2728154
2-[[3-(Trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 2803876
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 168284675
2-Benzylsulfonylacetohydrazide
CID 11817035
2-(Benzylthio)acetohydrazide
CID 4466810
benzyl N-acetamidocarbamodithioate
CID 59993619
2-Benzylsulfanyl-2-fluoroacetamide
CID 69787881
1-Methyl-3-(methylsulfanylmethyl)benzene;2,2,2-trifluoroacetamide
CID 144479187

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide (CID 17379180) is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide is NNC(=O)CSCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide?
The InChIKey is YHETVEMXNCMONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)8-3-1-2-7(4-8)5-17-6-9(16)15-14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide?
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide has a molecular weight of 264.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetohydrazide is sourced from PubChem (CID 17379180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).