[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine

C10H12ClFN2S2 — CID 56985422

IUPAC[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine
SMILESNNc1cc(C2SCCCS2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2S2/c11-7-5-8(12)9(14-13)4-6(7)10-15-2-1-3-16-10/h4-5,10,14H,1-3,13H2
InChIKeySKJCAGLYCPWRRA-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.63
Rot. Bonds2

About [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine

[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine (PubChem CID 56985422) has the molecular formula C10H12ClFN2S2 and a molecular weight of 278.81 g/mol. Its IUPAC name is [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine
PubChem CID56985422
Molecular FormulaC10H12ClFN2S2
Molecular Weight278.81 g/mol
Exact Mass278.01
IUPAC Name[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine
SMILESNNc1cc(C2SCCCS2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2S2/c11-7-5-8(12)9(14-13)4-6(7)10-15-2-1-3-16-10/h4-5,10,14H,1-3,13H2
InChIKeySKJCAGLYCPWRRA-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine?
The IUPAC name of [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine (CID 56985422) is [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine.
What is the SMILES notation for [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine?
The canonical SMILES for [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine is NNc1cc(C2SCCCS2)c(Cl)cc1F.
What is the InChIKey of [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine?
The InChIKey is SKJCAGLYCPWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2S2/c11-7-5-8(12)9(14-13)4-6(7)10-15-2-1-3-16-10/h4-5,10,14H,1-3,13H2.
What are the key properties of [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine?
[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine has a molecular weight of 278.81 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]hydrazine is sourced from PubChem (CID 56985422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).