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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Related Compounds

1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine
CID 144838813
1,3-diamino-1-methyl-3-[2-[(5-methyl-2-pyridinyl)methylsulfanyl]-3-(trifluoromethyl)phenyl]urea
CID 144839116
5-benzylsulfanyl-4,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 170731377
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135
N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251734
1,3-diamino-1-[2-(thiophen-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]urea
CID 144838611
2-benzylsulfanyl-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 53495036
1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
CID 144838535
1-[3-ethyl-2-[[5-(trifluoromethyl)furan-2-yl]methylsulfanyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144838201
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742

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).