[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine

C13H22N2S — CID 105225680

IUPAC[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cccc(C)c1)NN
InChIInChI=1S/C13H22N2S/c1-3-7-16-10-13(15-14)9-12-6-4-5-11(2)8-12/h4-6,8,13,15H,3,7,9-10,14H2,1-2H3
InChIKeyTYQXAORBKALQHQ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.51
Rot. Bonds7

About [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine

[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225680) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
PubChem CID105225680
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cccc(C)c1)NN
InChIInChI=1S/C13H22N2S/c1-3-7-16-10-13(15-14)9-12-6-4-5-11(2)8-12/h4-6,8,13,15H,3,7,9-10,14H2,1-2H3
InChIKeyTYQXAORBKALQHQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225778
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
1-(3-methylphenyl)undecan-2-ylhydrazine
CID 105208921
[1-(2,3-dihydro-1H-inden-5-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225635
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105238103
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine (CID 105225680) is [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine is CCCSCC(Cc1cccc(C)c1)NN.
What is the InChIKey of [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The InChIKey is TYQXAORBKALQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-7-16-10-13(15-14)9-12-6-4-5-11(2)8-12/h4-6,8,13,15H,3,7,9-10,14H2,1-2H3.
What are the key properties of [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine has a molecular weight of 238.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).