1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione

Modify Date: 2024-01-08 18:56:34

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure
1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione structure
Common Name 1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione
CAS Number 6957-85-3 Molecular Weight 207.27500
Density 1.73 g/cm3 Boiling Point 339.6ºC at 760 mmHg
Molecular Formula C8H5N3S2 Melting Point N/A
MSDS N/A Flash Point 159.2ºC

 Names

Name 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.73 g/cm3
Boiling Point 339.6ºC at 760 mmHg
Molecular Formula C8H5N3S2
Molecular Weight 207.27500
Flash Point 159.2ºC
Exact Mass 206.99200
PSA 93.42000
LogP 2.60660
Index of Refraction 1.935

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5478000
CHEMICAL NAME :
s-Triazolo(3,4-b)benzothiazole-3-thiol
CAS REGISTRY NUMBER :
6957-85-3
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H5-N3-S2
MOLECULAR WEIGHT :
207.28
WISWESSER LINE NOTATION :
T B556 BN DNN GSJ CSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02811

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2934100090

 Synthetic Route

~90%

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Aboelmagd; Ali, Ibrahim A.I.; Salem, Ezzeldin M.S.; Abdel-Razik European Journal of Medicinal Chemistry, 2013 , vol. 60, p. 503 - 511

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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Polish Journal of Chemistry, , vol. 57, # 1-3 p. 341 - 344

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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: European Journal of Medicinal Chemistry, , vol. 60, p. 503 - 511

~61%

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Kossowska, Barbara; Prelicz, Danuta; Utko, Krystyna; Wyzygowska, Lidia Polish Journal of Chemistry, 1983 , vol. 57, # 1-3 p. 341 - 344

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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Polish Journal of Chemistry, , vol. 57, # 1-3 p. 341 - 344

~%

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Indian Journal of Chemistry, , vol. 11, p. 321 - 324

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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Indian Journal of Chemistry, , vol. 11, p. 321 - 324

~%

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Polish Journal of Chemistry, , vol. 57, # 1-3 p. 341 - 344

~%

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Structure

1,2,4-Triazolo[...

CAS#:6957-85-3

Literature: Indian Journal of Chemistry, , vol. 11, p. 321 - 324

 Customs

HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Synonyms

s-Triazolo(3,4-b)benzothiazol-3-thiol
10-mercapto-2,3-azinomethylbenzothiazole
[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-thiol
s-Triazolo[3,4-b]benzothiazole-3-thiol
benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thiol
3-mercapto-7-thia-1,2,3-triazacyclopentaindene
2H-Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thione
1,2,4-Triazolo(3,4-b)benzothiazole-3(2H)-thione