[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine

C13H14Cl2N2S — CID 107970084

IUPAC[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c1-7-3-8(2)5-9(4-7)12(17-16)10-6-11(14)18-13(10)15/h3-6,12,17H,16H2,1-2H3
InChIKeyFNAUIDOSCRWUDK-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.22
Rot. Bonds3

About [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine

[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine (PubChem CID 107970084) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine
PubChem CID107970084
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c1-7-3-8(2)5-9(4-7)12(17-16)10-6-11(14)18-13(10)15/h3-6,12,17H,16H2,1-2H3
InChIKeyFNAUIDOSCRWUDK-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine (CID 107970084) is [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine is Cc1cc(C)cc(C(NN)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is FNAUIDOSCRWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-7-3-8(2)5-9(4-7)12(17-16)10-6-11(14)18-13(10)15/h3-6,12,17H,16H2,1-2H3.
What are the key properties of [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 301.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 107970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).