Home > Compound List > Compound details
76175-49-0 molecular structure
click picture or here to close

2-(thiophen-2-yl)morpholine

ChemBase ID: 238339
Molecular Formular: C8H11NOS
Molecular Mass: 169.24404
Monoisotopic Mass: 169.05613498
SMILES and InChIs

SMILES:
c1(sccc1)C1OCCNC1
Canonical SMILES:
C1COC(CN1)c1cccs1
InChI:
InChI=1S/C8H11NOS/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9H,3-4,6H2
InChIKey:
PBAULEGLRQCXKD-UHFFFAOYSA-N

Cite this record

CBID:238339 http://www.chembase.cn/molecule-238339.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)morpholine
IUPAC Traditional name
2-(thiophen-2-yl)morpholine
Synonyms
2-(thiophen-2-yl)morpholine
CAS Number
76175-49-0
MDL Number
MFCD09901446
PubChem SID
164294249
PubChem CID
3059155

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3059155 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0783412  LogD (pH = 7.4) 0.64895827 
Log P 1.2857426  Molar Refractivity 44.9406 cm3
Polarizability 17.837479 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.796 expand Show data source
Purity
95% expand Show data source
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