3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide

Modify Date: 2024-02-06 09:21:59

3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide Structure
3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide structure
 Common Name 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide
CAS Number 113387-65-8 Molecular Weight 290.32100
Density 1.86g/cm3 Boiling Point 604.8ºC at 760mmHg
Molecular Formula C11H6N4O2S2 Melting Point N/A
MSDS N/A Flash Point 319.6ºC

 Names

Name 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide

 Chemical & Physical Properties

Density 1.86g/cm3
Boiling Point 604.8ºC at 760mmHg
Molecular Formula C11H6N4O2S2
Molecular Weight 290.32100
Flash Point 319.6ºC
Exact Mass 289.99300
PSA 113.83000
LogP 2.00640
Vapour Pressure 1.4E-14mmHg at 25°C
Index of Refraction 1.925
InChIKey LWPNIZPZRPINGN-UHFFFAOYSA-N
SMILES O=S1(=O)N=C(n2nnc3ccccc32)c2cscc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM1534000
CHEMICAL NAME :
1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide
CAS REGISTRY NUMBER :
113387-65-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H6-N4-O2-S2
MOLECULAR WEIGHT :
290.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 23,329,1988
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Chemsrc provides CAS#:113387-65-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide>> amp version: 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide

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