1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide

C16H19F3N4OS — CID 144838586

IUPAC1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1.NNC=O
InChIInChI=1S/C15H15F3N2S.CH4N2O/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11;2-3-1-4/h2-9H,10,19H2,1H3;1H,2H2,(H,3,4)
InChIKeyAXZCWLRCHSUACJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide

1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144838586) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144838586
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1.NNC=O
InChIInChI=1S/C15H15F3N2S.CH4N2O/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11;2-3-1-4/h2-9H,10,19H2,1H3;1H,2H2,(H,3,4)
InChIKeyAXZCWLRCHSUACJ-UHFFFAOYSA-N
XLogP2.91
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide (CID 144838586) is 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide is CN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1.NNC=O.
What is the InChIKey of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is AXZCWLRCHSUACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S.CH4N2O/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11;2-3-1-4/h2-9H,10,19H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide?
1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 372.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144838586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).