Home > Compound List > Compound details
105445-58-7 molecular structure
click picture or here to close

2-(tributylstannyl)-1,3-benzothiazole

ChemBase ID: 13711
Molecular Formular: C19H31NSSn
Molecular Mass: 424.22214
Monoisotopic Mass: 425.119915
SMILES and InChIs

SMILES:
s1c(nc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1nc2c(s1)cccc2)(CCCC)CCCC
InChI:
InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey:
BIXRSCVOWFUPML-UHFFFAOYSA-N

Cite this record

CBID:13711 http://www.chembase.cn/molecule-13711.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tributylstannyl)-1,3-benzothiazole
IUPAC Traditional name
2-(tributylstannyl)-1,3-benzothiazole
Synonyms
2-Tributylstannylbenzothiazole
(1,3-Benzothiazol-2-yl)tributylstannane
2-(Tributylstannyl)-1,3-benzothiazole
CAS Number
105445-58-7
MDL Number
MFCD01319094
PubChem SID
160977018
PubChem CID
3762392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3762392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8643556  LogD (pH = 7.4) 5.8661766 
Log P 5.8662  Molar Refractivity 94.434 cm3
Polarizability 43.005913 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT, KEEP COLD expand Show data source
Toxic/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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