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61570-90-9 molecular structure
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methyl N-(6-propoxy-1,3-benzothiazol-2-yl)carbamate

ChemBase ID: 179792
Molecular Formular: C12H14N2O3S
Molecular Mass: 266.31616
Monoisotopic Mass: 266.07251332
SMILES and InChIs

SMILES:
c1(nc2c(s1)cc(cc2)OCCC)NC(=O)OC
Canonical SMILES:
CCCOc1ccc2c(c1)sc(n2)NC(=O)OC
InChI:
InChI=1S/C12H14N2O3S/c1-3-6-17-8-4-5-9-10(7-8)18-11(13-9)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
InChIKey:
HLLICFJUWSZHRJ-UHFFFAOYSA-N

Cite this record

CBID:179792 http://www.chembase.cn/molecule-179792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl N-(6-propoxy-1,3-benzothiazol-2-yl)carbamate
IUPAC Traditional name
methyl N-(6-propoxy-1,3-benzothiazol-2-yl)carbamate
Synonyms
Tiox
Tioxidazole
CAS Number
61570-90-9
PubChem SID
164235702
PubChem CID
72157

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 72157 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.105301  H Acceptors
H Donor LogD (pH = 5.5) 3.3763518 
LogD (pH = 7.4) 3.3763738  Log P 3.3763824 
Molar Refractivity 68.8244 cm3 Polarizability 27.418503 Å3
Polar Surface Area 60.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Mechanism of Action
Causes degenerative alterations in the tegument and intestinal cells of the worm expand Show data source
Inhibitor of microtubule polymerisation. expand Show data source
Application(s)
Anthelmintic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ger. Pat., 1976, Scherico, 2 617 198; CA, 86, 55424x, (synth, pharmacol)
  • • Panitz, E. et al., Experientia, 1978, 34, 733, (pharmacol)
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PATENTS

PATENTS

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INTERNET

INTERNET

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