[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine

C11H17BrN2S2 — CID 105327985

IUPAC[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1sccc1Br
InChIInChI=1S/C11H17BrN2S2/c12-9-3-6-16-11(9)10(14-13)7-8-1-4-15-5-2-8/h3,6,8,10,14H,1-2,4-5,7,13H2
InChIKeyJNCYSKAMMXCKMP-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.55
Rot. Bonds4

About [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine

[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine (PubChem CID 105327985) has the molecular formula C11H17BrN2S2 and a molecular weight of 321.31 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
PubChem CID105327985
Molecular FormulaC11H17BrN2S2
Molecular Weight321.31 g/mol
Exact Mass320.00
IUPAC Name[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1sccc1Br
InChIInChI=1S/C11H17BrN2S2/c12-9-3-6-16-11(9)10(14-13)7-8-1-4-15-5-2-8/h3,6,8,10,14H,1-2,4-5,7,13H2
InChIKeyJNCYSKAMMXCKMP-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.55
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)-3-cyclohexylpropyl]hydrazine
CID 105327876
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105284174
[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105327972
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 115380480

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine (CID 105327985) is [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine is NNC(CC1CCSCC1)c1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine?
The InChIKey is JNCYSKAMMXCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S2/c12-9-3-6-16-11(9)10(14-13)7-8-1-4-15-5-2-8/h3,6,8,10,14H,1-2,4-5,7,13H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine has a molecular weight of 321.31 g/mol, XLogP of 3.55, 4 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-(thian-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105327985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).