[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine

C10H17BrN2O2S — CID 105246270

IUPAC[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cscc1Br
InChIInChI=1S/C10H17BrN2O2S/c1-3-14-10(15-4-2)9(13-12)7-5-16-6-8(7)11/h5-6,9-10,13H,3-4,12H2,1-2H3
InChIKeyQKOUENJMRQCKST-UHFFFAOYSA-N
MW309.23 g/mol
LogP2.41
Rot. Bonds7

About [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine

[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine (PubChem CID 105246270) has the molecular formula C10H17BrN2O2S and a molecular weight of 309.23 g/mol. Its IUPAC name is [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
PubChem CID105246270
Molecular FormulaC10H17BrN2O2S
Molecular Weight309.23 g/mol
Exact Mass308.02
IUPAC Name[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cscc1Br
InChIInChI=1S/C10H17BrN2O2S/c1-3-14-10(15-4-2)9(13-12)7-5-16-6-8(7)11/h5-6,9-10,13H,3-4,12H2,1-2H3
InChIKeyQKOUENJMRQCKST-UHFFFAOYSA-N
XLogP2.41
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312864
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
1-(4-bromothiophen-3-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116726083
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
[1-(4-bromothiophen-3-yl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274324
[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
CID 105246443
(2,2-diethoxy-1-phenylethyl)hydrazine
CID 10823027
2-(4-bromothiophen-3-yl)-2-methoxyethanamine
CID 126978563
[2,2-diethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105246520
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
CID 130524690
1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240804
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine (CID 105246270) is [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine is CCOC(OCC)C(NN)c1cscc1Br.
What is the InChIKey of [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine?
The InChIKey is QKOUENJMRQCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S/c1-3-14-10(15-4-2)9(13-12)7-5-16-6-8(7)11/h5-6,9-10,13H,3-4,12H2,1-2H3.
What are the key properties of [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine?
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine has a molecular weight of 309.23 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine is sourced from PubChem (CID 105246270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).