[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine

C14H24N2S — CID 105236985

IUPAC[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
SMILESCCC(C)CC(CSc1ccc(C)cc1)NN
InChIInChI=1S/C14H24N2S/c1-4-11(2)9-13(16-15)10-17-14-7-5-12(3)6-8-14/h5-8,11,13,16H,4,9-10,15H2,1-3H3
InChIKeyMBCLYXMMAIBMSN-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.36
Rot. Bonds7

About [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine

[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine (PubChem CID 105236985) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
PubChem CID105236985
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
SMILESCCC(C)CC(CSc1ccc(C)cc1)NN
InChIInChI=1S/C14H24N2S/c1-4-11(2)9-13(16-15)10-17-14-7-5-12(3)6-8-14/h5-8,11,13,16H,4,9-10,15H2,1-3H3
InChIKeyMBCLYXMMAIBMSN-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.36
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-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
CID 105236964
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
[1-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924
[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105236973
5-methylheptan-3-ylhydrazine
CID 22568052
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-(4-bromophenyl)sulfanyl-4-methylhexan-2-amine
CID 66056872
1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
CID 23499732
[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237018

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine?
The IUPAC name of [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine (CID 105236985) is [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine?
The canonical SMILES for [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine is CCC(C)CC(CSc1ccc(C)cc1)NN.
What is the InChIKey of [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine?
The InChIKey is MBCLYXMMAIBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11(2)9-13(16-15)10-17-14-7-5-12(3)6-8-14/h5-8,11,13,16H,4,9-10,15H2,1-3H3.
What are the key properties of [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine?
[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine has a molecular weight of 252.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine is sourced from PubChem (CID 105236985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).