[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine

C8H11ClN2S — CID 130912831

IUPAC[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine
SMILESCSc1ccc(CCl)c(NN)c1
InChIInChI=1S/C8H11ClN2S/c1-12-7-3-2-6(5-9)8(4-7)11-10/h2-4,11H,5,10H2,1H3
InChIKeyNPJYSEXDFQLFSJ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.43
Rot. Bonds3

About [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine

[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine (PubChem CID 130912831) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine
PubChem CID130912831
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine
SMILESCSc1ccc(CCl)c(NN)c1
InChIInChI=1S/C8H11ClN2S/c1-12-7-3-2-6(5-9)8(4-7)11-10/h2-4,11H,5,10H2,1H3
InChIKeyNPJYSEXDFQLFSJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine?
The IUPAC name of [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine (CID 130912831) is [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine.
What is the SMILES notation for [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine?
The canonical SMILES for [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine is CSc1ccc(CCl)c(NN)c1.
What is the InChIKey of [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine?
The InChIKey is NPJYSEXDFQLFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-12-7-3-2-6(5-9)8(4-7)11-10/h2-4,11H,5,10H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine?
[2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine has a molecular weight of 202.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylsulfanylphenyl]hydrazine is sourced from PubChem (CID 130912831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).