Home > Compound List > Compound details
1455-20-5 molecular structure
click picture or here to close

2-butylthiophene

ChemBase ID: 87134
Molecular Formular: C8H12S
Molecular Mass: 140.24588
Monoisotopic Mass: 140.06597138
SMILES and InChIs

SMILES:
s1c(ccc1)CCCC
Canonical SMILES:
CCCCc1cccs1
InChI:
InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKey:
MNDZHERKKXUTOE-UHFFFAOYSA-N

Cite this record

CBID:87134 http://www.chembase.cn/molecule-87134.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-butylthiophene
IUPAC Traditional name
thiophene, 2-butyl-
Synonyms
2-butylthiophene
2-N-BUTYLTHIOPHENE
2-n-Butylthiophene
2-正丁基噻吩
CAS Number
1455-20-5
EC Number
215-935-1
MDL Number
MFCD00022534
Beilstein Number
107046
PubChem SID
162074250
PubChem CID
73818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 73818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7332547  LogD (pH = 7.4) 3.7332547 
Log P 3.7332547  Molar Refractivity 41.9461 cm3
Polarizability 16.26428 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
181-182°C expand Show data source
181-182°C expand Show data source
Flash Point
35°C expand Show data source
56°C(133°F) expand Show data source
Density
0.953 expand Show data source
0.97 expand Show data source
Refractive Index
1.5020 expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Hazard statements
H226 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Purity
98+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201994 external link
MP Biomedicals Rare Chemical collection

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