[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine

C16H26N2S — CID 105255638

IUPAC[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESCC(C)c1ccc(CC(NN)C2CCCCS2)cc1
InChIInChI=1S/C16H26N2S/c1-12(2)14-8-6-13(7-9-14)11-15(18-17)16-5-3-4-10-19-16/h6-9,12,15-16,18H,3-5,10-11,17H2,1-2H3
InChIKeyUXCDPHGBWJUAHA-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.47
Rot. Bonds5

About [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine

[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine (PubChem CID 105255638) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
PubChem CID105255638
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESCC(C)c1ccc(CC(NN)C2CCCCS2)cc1
InChIInChI=1S/C16H26N2S/c1-12(2)14-8-6-13(7-9-14)11-15(18-17)16-5-3-4-10-19-16/h6-9,12,15-16,18H,3-5,10-11,17H2,1-2H3
InChIKeyUXCDPHGBWJUAHA-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.47
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-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[1-cyclooctyl-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105254967
[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105255478
[2-(4-propan-2-ylphenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297335
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine (CID 105255638) is [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine is CC(C)c1ccc(CC(NN)C2CCCCS2)cc1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine?
The InChIKey is UXCDPHGBWJUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)14-8-6-13(7-9-14)11-15(18-17)16-5-3-4-10-19-16/h6-9,12,15-16,18H,3-5,10-11,17H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine?
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine has a molecular weight of 278.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105255638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).