[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

C17H28N2S — CID 105292785

IUPAC[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(CC2CCSCC2)NN)c(C)c1
InChIInChI=1S/C17H28N2S/c1-12-8-13(2)17(14(3)9-12)11-16(19-18)10-15-4-6-20-7-5-15/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3
InChIKeyXFBFPFJEFCBZTI-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.52
Rot. Bonds5

About [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105292785) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
PubChem CID105292785
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(CC2CCSCC2)NN)c(C)c1
InChIInChI=1S/C17H28N2S/c1-12-8-13(2)17(14(3)9-12)11-16(19-18)10-15-4-6-20-7-5-15/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3
InChIKeyXFBFPFJEFCBZTI-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.52
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

[1-cyclobutyl-3-(2,6-dimethylphenyl)propan-2-yl]hydrazine
CID 103170732
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292666
[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105283379
[1-cyclohexyl-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105296302
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
[1-(furan-2-yl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105331670
1-(3,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105096944
[1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292742
[1-(2-methylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105235035
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107166073

Frequently Asked Questions

What is the IUPAC name of [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (CID 105292785) is [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is Cc1cc(C)c(CC(CC2CCSCC2)NN)c(C)c1.
What is the InChIKey of [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is XFBFPFJEFCBZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-12-8-13(2)17(14(3)9-12)11-16(19-18)10-15-4-6-20-7-5-15/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3.
What are the key properties of [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 292.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105292785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).