[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine

C13H20N2S — CID 105255558

IUPAC[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCCc1ccc(C(NN)C2CCCS2)cc1
InChIInChI=1S/C13H20N2S/c1-2-10-5-7-11(8-6-10)13(15-14)12-4-3-9-16-12/h5-8,12-13,15H,2-4,9,14H2,1H3
InChIKeyRSVWRQDKDSFWGV-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.65
Rot. Bonds4

About [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine

[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255558) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255558
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCCc1ccc(C(NN)C2CCCS2)cc1
InChIInChI=1S/C13H20N2S/c1-2-10-5-7-11(8-6-10)13(15-14)12-4-3-9-16-12/h5-8,12-13,15H,2-4,9,14H2,1H3
InChIKeyRSVWRQDKDSFWGV-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.65
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

[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
CID 105255948
[(2,2-dimethylcyclopropyl)-(4-ethylphenyl)methyl]hydrazine
CID 107005599
[(4-tert-butylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105232777
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
CID 107292378
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060

Frequently Asked Questions

What is the IUPAC name of [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255558) is [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine is CCc1ccc(C(NN)C2CCCS2)cc1.
What is the InChIKey of [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is RSVWRQDKDSFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-10-5-7-11(8-6-10)13(15-14)12-4-3-9-16-12/h5-8,12-13,15H,2-4,9,14H2,1H3.
What are the key properties of [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).