Home > Compound List > Compound details
56182-43-5 molecular structure
click picture or here to close

2-bromothiophene-3-carbonitrile

ChemBase ID: 75897
Molecular Formular: C5H2BrNS
Molecular Mass: 188.04508
Monoisotopic Mass: 186.90913207
SMILES and InChIs

SMILES:
s1ccc(c1Br)C#N
Canonical SMILES:
Brc1sccc1C#N
InChI:
InChI=1S/C5H2BrNS/c6-5-4(3-7)1-2-8-5/h1-2H
InChIKey:
GHMDOVNPFWGFSZ-UHFFFAOYSA-N

Cite this record

CBID:75897 http://www.chembase.cn/molecule-75897.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromothiophene-3-carbonitrile
IUPAC Traditional name
2-bromothiophene-3-carbonitrile
Synonyms
2-bromothiophene-3-carbonitrile
2-Bromo-3-cyanothiophene
2-Bromothiophene-3-carbonitrile 97%
CAS Number
56182-43-5
MDL Number
MFCD09064981
PubChem SID
162040815
PubChem CID
12079026

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12079026 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5445325  LogD (pH = 7.4) 2.5445325 
Log P 2.5445325  Molar Refractivity 35.6681 cm3
Polarizability 13.852804 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Toxic/Harmful/Keep Cold expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle