[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine

C13H20N2S — CID 105255377

IUPAC[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCS2)c(C)c1
InChIInChI=1S/C13H20N2S/c1-9-5-6-11(10(2)8-9)13(15-14)12-4-3-7-16-12/h5-6,8,12-13,15H,3-4,7,14H2,1-2H3
InChIKeyLYLDPVASXUBMMY-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.70
Rot. Bonds3

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

[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255377) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255377
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCS2)c(C)c1
InChIInChI=1S/C13H20N2S/c1-9-5-6-11(10(2)8-9)13(15-14)12-4-3-7-16-12/h5-6,8,12-13,15H,3-4,7,14H2,1-2H3
InChIKeyLYLDPVASXUBMMY-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.70
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-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
[(2,4-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232458
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(2,4-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265750
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255493
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403

Frequently Asked Questions

What is the IUPAC name of [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255377) is [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCCS2)c(C)c1.
What is the InChIKey of [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is LYLDPVASXUBMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-5-6-11(10(2)8-9)13(15-14)12-4-3-7-16-12/h5-6,8,12-13,15H,3-4,7,14H2,1-2H3.
What are the key properties of [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).