Home > Compound List > Compound details
1245816-20-9 molecular structure
click picture or here to close

2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine

ChemBase ID: 65181
Molecular Formular: C18H28Cl2N2SSn
Molecular Mass: 494.10032
Monoisotopic Mass: 494.03721927
SMILES and InChIs

SMILES:
c1(nc(c2c(n1)cc(s2)[Sn](CCCC)(CCCC)CCCC)Cl)Cl
Canonical SMILES:
CCCC[Sn](c1cc2c(s1)c(Cl)nc(n2)Cl)(CCCC)CCCC
InChI:
InChI=1S/C6HCl2N2S.3C4H9.Sn/c7-5-4-3(1-2-11-4)9-6(8)10-5;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKey:
DVRHIDUONZJHFV-UHFFFAOYSA-N

Cite this record

CBID:65181 http://www.chembase.cn/molecule-65181.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine
IUPAC Traditional name
2,4-dichloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine
Synonyms
2,4-Dichloro-6-tributylstannylthieno-[3,2-d]pyrimidine
CAS Number
1245816-20-9
MDL Number
MFCD17015009
PubChem SID
162030920
PubChem CID
46839961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070514 external link Add to cart Please log in.
Data Source Data ID
PubChem 46839961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8262  LogD (pH = 7.4) 5.8262 
Log P 5.8262  Molar Refractivity 104.047 cm3
Polarizability 46.19086 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
92% 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