2-bromothiophene;molecular nitrogen

C4H3BrN2S — CID 91328293

IUPAC2-bromothiophene;molecular nitrogen
SMILESBrc1cccs1.N#N
InChIInChI=1S/C4H3BrS.N2/c5-4-2-1-3-6-4;1-2/h1-3H;
InChIKeyJEJFFLYTJNEWLS-UHFFFAOYSA-N
MW191.05 g/mol
LogP2.54
Rot. Bonds

About 2-bromothiophene;molecular nitrogen

2-bromothiophene;molecular nitrogen (PubChem CID 91328293) has the molecular formula C4H3BrN2S and a molecular weight of 191.05 g/mol. Its IUPAC name is 2-bromothiophene;molecular nitrogen.

Molecular Properties

Compound Name2-bromothiophene;molecular nitrogen
PubChem CID91328293
Molecular FormulaC4H3BrN2S
Molecular Weight191.05 g/mol
Exact Mass189.92
IUPAC Name2-bromothiophene;molecular nitrogen
SMILESBrc1cccs1.N#N
InChIInChI=1S/C4H3BrS.N2/c5-4-2-1-3-6-4;1-2/h1-3H;
InChIKeyJEJFFLYTJNEWLS-UHFFFAOYSA-N
XLogP2.54
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.05
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 100972748
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2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
dibromo(thiophen-2-yl)phosphane
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chloro(trithiophen-2-yl)phosphanium
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Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene;molecular nitrogen?
The IUPAC name of 2-bromothiophene;molecular nitrogen (CID 91328293) is 2-bromothiophene;molecular nitrogen.
What is the SMILES notation for 2-bromothiophene;molecular nitrogen?
The canonical SMILES for 2-bromothiophene;molecular nitrogen is Brc1cccs1.N#N.
What is the InChIKey of 2-bromothiophene;molecular nitrogen?
The InChIKey is JEJFFLYTJNEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrS.N2/c5-4-2-1-3-6-4;1-2/h1-3H;.
What are the key properties of 2-bromothiophene;molecular nitrogen?
2-bromothiophene;molecular nitrogen has a molecular weight of 191.05 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene;molecular nitrogen is sourced from PubChem (CID 91328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).