[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine

C8H9F3N2OS — CID 151368533

IUPAC[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine
SMILESCSc1ccc(NN)c(OC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2OS/c1-15-5-2-3-6(13-12)7(4-5)14-8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyOPYBYNMGOSSETP-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.59
Rot. Bonds3

About [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine

[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine (PubChem CID 151368533) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine.

Molecular Properties

Compound Name[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine
PubChem CID151368533
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine
SMILESCSc1ccc(NN)c(OC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2OS/c1-15-5-2-3-6(13-12)7(4-5)14-8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyOPYBYNMGOSSETP-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
1-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451
4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
[2,5-bis(methylsulfanyl)phenyl]hydrazine
CID 130894221
[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine
CID 130912831
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953
[2-iodo-5-(trifluoromethoxy)phenyl]hydrazine
CID 118852597
4-[2-methoxy-5-methylsulfanyl-3-(trifluoromethoxy)phenyl]butan-1-amine
CID 123569878

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine?
The IUPAC name of [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine (CID 151368533) is [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine.
What is the SMILES notation for [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine?
The canonical SMILES for [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine is CSc1ccc(NN)c(OC(F)(F)F)c1.
What is the InChIKey of [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine?
The InChIKey is OPYBYNMGOSSETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-15-5-2-3-6(13-12)7(4-5)14-8(9,10)11/h2-4,13H,12H2,1H3.
What are the key properties of [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine?
[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine has a molecular weight of 238.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine is sourced from PubChem (CID 151368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).