[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine

C12H17FN2S2 — CID 105249449

IUPAC[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CSCCS2)c1
InChIInChI=1S/C12H17FN2S2/c1-8-4-9(6-10(13)5-8)12(15-14)11-7-16-2-3-17-11/h4-6,11-12,15H,2-3,7,14H2,1H3
InChIKeyQLEIOGWFRQKAOU-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.49
Rot. Bonds3

About [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine

[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine (PubChem CID 105249449) has the molecular formula C12H17FN2S2 and a molecular weight of 272.41 g/mol. Its IUPAC name is [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
PubChem CID105249449
Molecular FormulaC12H17FN2S2
Molecular Weight272.41 g/mol
Exact Mass272.08
IUPAC Name[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CSCCS2)c1
InChIInChI=1S/C12H17FN2S2/c1-8-4-9(6-10(13)5-8)12(15-14)11-7-16-2-3-17-11/h4-6,11-12,15H,2-3,7,14H2,1H3
InChIKeyQLEIOGWFRQKAOU-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.49
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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Related Compounds

[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methanol
CID 79973042
(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine
CID 79971780
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105249366
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
[(3-fluoro-5-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107194457
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265899

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine (CID 105249449) is [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine is Cc1cc(F)cc(C(NN)C2CSCCS2)c1.
What is the InChIKey of [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine?
The InChIKey is QLEIOGWFRQKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S2/c1-8-4-9(6-10(13)5-8)12(15-14)11-7-16-2-3-17-11/h4-6,11-12,15H,2-3,7,14H2,1H3.
What are the key properties of [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine?
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine has a molecular weight of 272.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105249449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).