2-bromo-5-(nitrosomethyl)thiophene

C5H4BrNOS — CID 57157580

IUPAC2-bromo-5-(nitrosomethyl)thiophene
SMILESO=NCc1ccc(Br)s1
InChIInChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-2H,3H2
InChIKeyFFJFLWGVMBENGN-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.78
Rot. Bonds2

About 2-bromo-5-(nitrosomethyl)thiophene

2-bromo-5-(nitrosomethyl)thiophene (PubChem CID 57157580) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is 2-bromo-5-(nitrosomethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(nitrosomethyl)thiophene
PubChem CID57157580
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC Name2-bromo-5-(nitrosomethyl)thiophene
SMILESO=NCc1ccc(Br)s1
InChIInChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-2H,3H2
InChIKeyFFJFLWGVMBENGN-UHFFFAOYSA-N
XLogP2.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
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2-bromo-5-(2-chloroprop-2-enyl)thiophene
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(nitrosomethyl)thiophene?
The IUPAC name of 2-bromo-5-(nitrosomethyl)thiophene (CID 57157580) is 2-bromo-5-(nitrosomethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(nitrosomethyl)thiophene?
The canonical SMILES for 2-bromo-5-(nitrosomethyl)thiophene is O=NCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(nitrosomethyl)thiophene?
The InChIKey is FFJFLWGVMBENGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-2H,3H2.
What are the key properties of 2-bromo-5-(nitrosomethyl)thiophene?
2-bromo-5-(nitrosomethyl)thiophene has a molecular weight of 206.06 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(nitrosomethyl)thiophene is sourced from PubChem (CID 57157580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).