[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

C11H17BrN2S3 — CID 105259686

IUPAC[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C11H17BrN2S3/c1-7-11(16-3-2-15-7)10(14-13)5-9-4-8(12)6-17-9/h4,6-7,10-11,14H,2-3,5,13H2,1H3
InChIKeyOKWSSDAAGOFDTP-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.12
Rot. Bonds4

About [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105259686) has the molecular formula C11H17BrN2S3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105259686
Molecular FormulaC11H17BrN2S3
Molecular Weight353.38 g/mol
Exact Mass351.97
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C11H17BrN2S3/c1-7-11(16-3-2-15-7)10(14-13)5-9-4-8(12)6-17-9/h4,6-7,10-11,14H,2-3,5,13H2,1H3
InChIKeyOKWSSDAAGOFDTP-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105299404
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643526

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 105259686) is [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCCSC1C(Cc1cc(Br)cs1)NN.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is OKWSSDAAGOFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S3/c1-7-11(16-3-2-15-7)10(14-13)5-9-4-8(12)6-17-9/h4,6-7,10-11,14H,2-3,5,13H2,1H3.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 353.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).