[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine

C13H22N2S — CID 105226359

IUPAC[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(CSC(C)(C)C)NN)cc1
InChIInChI=1S/C13H22N2S/c1-10-5-7-11(8-6-10)12(15-14)9-16-13(2,3)4/h5-8,12,15H,9,14H2,1-4H3
InChIKeyGNGQOIPSUZELDF-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.03
Rot. Bonds4

About [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine

[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine (PubChem CID 105226359) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine
PubChem CID105226359
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(CSC(C)(C)C)NN)cc1
InChIInChI=1S/C13H22N2S/c1-10-5-7-11(8-6-10)12(15-14)9-16-13(2,3)4/h5-8,12,15H,9,14H2,1-4H3
InChIKeyGNGQOIPSUZELDF-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 107562353
[2-tert-butylsulfanyl-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105226405
(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
CID 105226474
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105226545
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline
CID 115916778
[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
CID 102649995
1-(4-methylphenyl)heptylhydrazine
CID 105194415
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 65132971
[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
CID 105273984

Frequently Asked Questions

What is the IUPAC name of [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine (CID 105226359) is [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine is Cc1ccc(C(CSC(C)(C)C)NN)cc1.
What is the InChIKey of [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine?
The InChIKey is GNGQOIPSUZELDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-7-11(8-6-10)12(15-14)9-16-13(2,3)4/h5-8,12,15H,9,14H2,1-4H3.
What are the key properties of [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine?
[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine has a molecular weight of 238.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).