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

C15H15F3N2S — CID 144838587

IUPAC1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1
InChIInChI=1S/C15H15F3N2S/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11/h2-9H,10,19H2,1H3
InChIKeyDPPAPNXHHQGCEG-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.31
Rot. Bonds4

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

1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 144838587) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID144838587
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1
InChIInChI=1S/C15H15F3N2S/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11/h2-9H,10,19H2,1H3
InChIKeyDPPAPNXHHQGCEG-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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?
The IUPAC name of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 144838587) is 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine is CN(N)c1cccc(C(F)(F)F)c1SCc1ccccc1.
What is the InChIKey of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is DPPAPNXHHQGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-20(19)13-9-5-8-12(15(16,17)18)14(13)21-10-11-6-3-2-4-7-11/h2-9H,10,19H2,1H3.
What are the key properties of 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 312.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).