[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine

C13H15BrN2S2 — CID 105237027

IUPAC[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1ccc(SCC(NN)c2sccc2Br)cc1
InChIInChI=1S/C13H15BrN2S2/c1-9-2-4-10(5-3-9)18-8-12(16-15)13-11(14)6-7-17-13/h2-7,12,16H,8,15H2,1H3
InChIKeyXUOSJAGUJXBAAC-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.12
Rot. Bonds5

About [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine

[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105237027) has the molecular formula C13H15BrN2S2 and a molecular weight of 343.32 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105237027
Molecular FormulaC13H15BrN2S2
Molecular Weight343.32 g/mol
Exact Mass341.99
IUPAC Name[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1ccc(SCC(NN)c2sccc2Br)cc1
InChIInChI=1S/C13H15BrN2S2/c1-9-2-4-10(5-3-9)18-8-12(16-15)13-11(14)6-7-17-13/h2-7,12,16H,8,15H2,1H3
InChIKeyXUOSJAGUJXBAAC-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.12
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

[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
CID 105237021

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine (CID 105237027) is [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine is Cc1ccc(SCC(NN)c2sccc2Br)cc1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is XUOSJAGUJXBAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S2/c1-9-2-4-10(5-3-9)18-8-12(16-15)13-11(14)6-7-17-13/h2-7,12,16H,8,15H2,1H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 343.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).