2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide

C9H9F3N2OS — CID 60651104

IUPAC2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyAOHLAZMTLMGWER-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.79
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide

2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide (PubChem CID 60651104) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
PubChem CID60651104
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyAOHLAZMTLMGWER-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.79
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

N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
2-phenylsulfanylacetohydrazide
CID 7037418
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 173184639

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide (CID 60651104) is 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide is NNC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide?
The InChIKey is AOHLAZMTLMGWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide?
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide has a molecular weight of 250.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide is sourced from PubChem (CID 60651104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).