[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine

C14H22N2S — CID 105300299

IUPAC[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2(C)CCCS2)cc1C
InChIInChI=1S/C14H22N2S/c1-10-5-6-12(9-11(10)2)13(16-15)14(3)7-4-8-17-14/h5-6,9,13,16H,4,7-8,15H2,1-3H3
InChIKeyRIZABIWKIUXKFX-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.09
Rot. Bonds3

About [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine

[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine (PubChem CID 105300299) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
PubChem CID105300299
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2(C)CCCS2)cc1C
InChIInChI=1S/C14H22N2S/c1-10-5-6-12(9-11(10)2)13(16-15)14(3)7-4-8-17-14/h5-6,9,13,16H,4,7-8,15H2,1-3H3
InChIKeyRIZABIWKIUXKFX-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.09
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

(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
[(2-methylthiolan-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105312067
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105323190
[(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217373
[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105307514
[(2-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105304446
[3,4-dihydro-2H-pyran-5-yl-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105333259
[(2-methylthiolan-2-yl)-pyrazin-2-ylmethyl]hydrazine
CID 105308748
N-[(4-chloro-3-methoxyphenyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105164486
1-(3,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105142071
bis(3,4-dimethylphenyl)methylhydrazine
CID 105300164

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine (CID 105300299) is [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2(C)CCCS2)cc1C.
What is the InChIKey of [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The InChIKey is RIZABIWKIUXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-5-6-12(9-11(10)2)13(16-15)14(3)7-4-8-17-14/h5-6,9,13,16H,4,7-8,15H2,1-3H3.
What are the key properties of [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine has a molecular weight of 250.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105300299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).