[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine

C13H21ClN2S — CID 107562353

IUPAC[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(CSC(C)(C)C)NN)cc1Cl
InChIInChI=1S/C13H21ClN2S/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyLFWGSYJNEUDOSM-UHFFFAOYSA-N
MW272.85 g/mol
LogP3.68
Rot. Bonds4

About [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine

[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine (PubChem CID 107562353) has the molecular formula C13H21ClN2S and a molecular weight of 272.85 g/mol. Its IUPAC name is [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
PubChem CID107562353
Molecular FormulaC13H21ClN2S
Molecular Weight272.85 g/mol
Exact Mass272.11
IUPAC Name[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(CSC(C)(C)C)NN)cc1Cl
InChIInChI=1S/C13H21ClN2S/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyLFWGSYJNEUDOSM-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 53.68
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-(4-methylphenyl)ethyl]hydrazine
CID 105226359
[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 107562550
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
[1-(3-chloro-4-methylphenyl)-3-ethylpentyl]hydrazine
CID 105331071
[1-(3-chloro-4-methylphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315126
[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
[1-(3-chloro-4-methylphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 107562387
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 106817514
[1-(3-chloro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107562330

Frequently Asked Questions

What is the IUPAC name of [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine (CID 107562353) is [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine is Cc1ccc(C(CSC(C)(C)C)NN)cc1Cl.
What is the InChIKey of [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine?
The InChIKey is LFWGSYJNEUDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of [2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine?
[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine has a molecular weight of 272.85 g/mol, XLogP of 3.68, 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-(3-chloro-4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 107562353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).