4-bromo-1-thiophen-2-yltriazole

C6H4BrN3S — CID 172993547

IUPAC4-bromo-1-thiophen-2-yltriazole
SMILESBrc1cn(-c2cccs2)nn1
InChIInChI=1S/C6H4BrN3S/c7-5-4-10(9-8-5)6-2-1-3-11-6/h1-4H
InChIKeyZYBZPAQURVWYFO-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.09
Rot. Bonds1

About 4-bromo-1-thiophen-2-yltriazole

4-bromo-1-thiophen-2-yltriazole (PubChem CID 172993547) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 4-bromo-1-thiophen-2-yltriazole.

Molecular Properties

Compound Name4-bromo-1-thiophen-2-yltriazole
PubChem CID172993547
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name4-bromo-1-thiophen-2-yltriazole
SMILESBrc1cn(-c2cccs2)nn1
InChIInChI=1S/C6H4BrN3S/c7-5-4-10(9-8-5)6-2-1-3-11-6/h1-4H
InChIKeyZYBZPAQURVWYFO-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethyl-(1-thiophen-2-yltriazol-4-yl)silane
CID 10082338
1-Thiophen-2-yltriazole
CID 12454080
1-(4-Methylthiophen-2-yl)triazole
CID 20373982
1-(5-Chlorothiophen-2-yl)triazole
CID 123441468
1-Thiophen-3-yltriazole
CID 12454078
(1-Thiophen-2-yltriazol-4-yl)methanamine
CID 83636169
[3-(4-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657516
2-(Triazol-1-yl)thiophen-3-amine
CID 129939458
4-bromo-1-(thiophen-3-yl)-1H-1,2,3-triazole
CID 172992454
3-bromo-1-(thiophen-2-yl)-1H-pyrazole
CID 172993524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-thiophen-2-yltriazole?
The IUPAC name of 4-bromo-1-thiophen-2-yltriazole (CID 172993547) is 4-bromo-1-thiophen-2-yltriazole.
What is the SMILES notation for 4-bromo-1-thiophen-2-yltriazole?
The canonical SMILES for 4-bromo-1-thiophen-2-yltriazole is Brc1cn(-c2cccs2)nn1.
What is the InChIKey of 4-bromo-1-thiophen-2-yltriazole?
The InChIKey is ZYBZPAQURVWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-5-4-10(9-8-5)6-2-1-3-11-6/h1-4H.
What are the key properties of 4-bromo-1-thiophen-2-yltriazole?
4-bromo-1-thiophen-2-yltriazole has a molecular weight of 230.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-thiophen-2-yltriazole is sourced from PubChem (CID 172993547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).