Home > Compound List > Compound details
111760-38-4 molecular structure
click picture or here to close

2-(thiophen-3-yl)piperazine

ChemBase ID: 296240
Molecular Formular: C8H12N2S
Molecular Mass: 168.25928
Monoisotopic Mass: 168.07211939
SMILES and InChIs

SMILES:
c1cscc1C1CNCCN1
Canonical SMILES:
C1CNC(CN1)c1cscc1
InChI:
InChI=1S/C8H12N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-10H,2-3,5H2
InChIKey:
CNCNNYFNOXHYAC-UHFFFAOYSA-N

Cite this record

CBID:296240 http://www.chembase.cn/molecule-296240.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-3-yl)piperazine
IUPAC Traditional name
2-(thiophen-3-yl)piperazine
Synonyms
2-(3-Thienyl)piperazine
2-(3-噻吩)哌嗪
CAS Number
111760-38-4
MDL Number
MFCD06660450
PubChem SID
180681771
PubChem CID
16740794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H26531 external link Add to cart Please log in.
Data Source Data ID
PubChem 16740794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1631863  LogD (pH = 7.4) -0.57820916 
Log P 0.83587533  Molar Refractivity 46.8374 cm3
Polarizability 18.661514 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-100°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% 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