[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine

C17H22N2S — CID 105237337

IUPAC[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
SMILESCc1ccccc1SCC(CCc1ccccc1)NN
InChIInChI=1S/C17H22N2S/c1-14-7-5-6-10-17(14)20-13-16(19-18)12-11-15-8-3-2-4-9-15/h2-10,16,19H,11-13,18H2,1H3
InChIKeySBMZAKVNFLSJFI-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.55
Rot. Bonds7

About [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine

[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine (PubChem CID 105237337) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
PubChem CID105237337
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
SMILESCc1ccccc1SCC(CCc1ccccc1)NN
InChIInChI=1S/C17H22N2S/c1-14-7-5-6-10-17(14)20-13-16(19-18)12-11-15-8-3-2-4-9-15/h2-10,16,19H,11-13,18H2,1H3
InChIKeySBMZAKVNFLSJFI-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.55
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-(2-fluorophenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105236122
[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
CID 105237458
[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105237457
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
(4-phenyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105205766
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
4-phenylbutan-2-ylhydrazine
CID 28622
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
CID 162413618

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine (CID 105237337) is [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine is Cc1ccccc1SCC(CCc1ccccc1)NN.
What is the InChIKey of [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine?
The InChIKey is SBMZAKVNFLSJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14-7-5-6-10-17(14)20-13-16(19-18)12-11-15-8-3-2-4-9-15/h2-10,16,19H,11-13,18H2,1H3.
What are the key properties of [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine?
[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine has a molecular weight of 286.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine is sourced from PubChem (CID 105237337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).