[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine

C14H13ClF2N2S — CID 114275473

IUPAC[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2c(Cl)ccc(F)c2F)cc1
InChIInChI=1S/C14H13ClF2N2S/c1-20-9-4-2-8(3-5-9)14(19-18)12-10(15)6-7-11(16)13(12)17/h2-7,14,19H,18H2,1H3
InChIKeyAZIBEYCNKGRZST-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.89
Rot. Bonds4

About [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine

[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 114275473) has the molecular formula C14H13ClF2N2S and a molecular weight of 314.79 g/mol. Its IUPAC name is [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
PubChem CID114275473
Molecular FormulaC14H13ClF2N2S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2c(Cl)ccc(F)c2F)cc1
InChIInChI=1S/C14H13ClF2N2S/c1-20-9-4-2-8(3-5-9)14(19-18)12-10(15)6-7-11(16)13(12)17/h2-7,14,19H,18H2,1H3
InChIKeyAZIBEYCNKGRZST-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,6-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105308115
[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
[(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105218082
1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114275383
[(4-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192695
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 105193293
[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287585
hydrazinyl-(4-methylsulfanylphenyl)methanamine
CID 116947480
[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
[(4-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105193237

Frequently Asked Questions

What is the IUPAC name of [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine (CID 114275473) is [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine is CSc1ccc(C(NN)c2c(Cl)ccc(F)c2F)cc1.
What is the InChIKey of [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is AZIBEYCNKGRZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2S/c1-20-9-4-2-8(3-5-9)14(19-18)12-10(15)6-7-11(16)13(12)17/h2-7,14,19H,18H2,1H3.
What are the key properties of [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine?
[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 314.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 114275473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).