5-(2-methylphenyl)sulfanylpentylidenehydrazine

C12H18N2S — CID 70530112

IUPAC5-(2-methylphenyl)sulfanylpentylidenehydrazine
SMILESCc1ccccc1SCCCCC=NN
InChIInChI=1S/C12H18N2S/c1-11-7-3-4-8-12(11)15-10-6-2-5-9-14-13/h3-4,7-9H,2,5-6,10,13H2,1H3
InChIKeyZMUWDDPOHNUTSW-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.20
Rot. Bonds6

About 5-(2-methylphenyl)sulfanylpentylidenehydrazine

5-(2-methylphenyl)sulfanylpentylidenehydrazine (PubChem CID 70530112) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)sulfanylpentylidenehydrazine.

Molecular Properties

Compound Name5-(2-methylphenyl)sulfanylpentylidenehydrazine
PubChem CID70530112
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name5-(2-methylphenyl)sulfanylpentylidenehydrazine
SMILESCc1ccccc1SCCCCC=NN
InChIInChI=1S/C12H18N2S/c1-11-7-3-4-8-12(11)15-10-6-2-5-9-14-13/h3-4,7-9H,2,5-6,10,13H2,1H3
InChIKeyZMUWDDPOHNUTSW-UHFFFAOYSA-N
XLogP3.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)sulfanylpentylidenehydrazine?
The IUPAC name of 5-(2-methylphenyl)sulfanylpentylidenehydrazine (CID 70530112) is 5-(2-methylphenyl)sulfanylpentylidenehydrazine.
What is the SMILES notation for 5-(2-methylphenyl)sulfanylpentylidenehydrazine?
The canonical SMILES for 5-(2-methylphenyl)sulfanylpentylidenehydrazine is Cc1ccccc1SCCCCC=NN.
What is the InChIKey of 5-(2-methylphenyl)sulfanylpentylidenehydrazine?
The InChIKey is ZMUWDDPOHNUTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-11-7-3-4-8-12(11)15-10-6-2-5-9-14-13/h3-4,7-9H,2,5-6,10,13H2,1H3.
What are the key properties of 5-(2-methylphenyl)sulfanylpentylidenehydrazine?
5-(2-methylphenyl)sulfanylpentylidenehydrazine has a molecular weight of 222.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)sulfanylpentylidenehydrazine is sourced from PubChem (CID 70530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).