Benzothiazole,2-[(1,1-dimethylethyl)thio]-

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Names

[ CAS No. ]:
39543-16-3

[ Name ]:
Benzothiazole,2-[(1,1-dimethylethyl)thio]-

[Synonym ]:
Benzothiazole,1-dimethylethyl)thio]
2-tert-butylthiobenzothiazole
2-tert-butylsulfanyl-benzothiazole

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
325.6ºC at 760mmHg

[ Molecular Formula ]:
C11H13NS2

[ Molecular Weight ]:
223.35800

[ Flash Point ]:
150.7ºC

[ Exact Mass ]:
223.04900

[ PSA ]:
66.43000

[ LogP ]:
4.18690

[ Index of Refraction ]:
1.632

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL2950000
CHEMICAL NAME :
Benzothiazole, 2-(tert-butylthio)-
CAS REGISTRY NUMBER :
39543-16-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H13-N-S2
MOLECULAR WEIGHT :
223.37
WISWESSER LINE NOTATION :
T56 BN DSJ CSX1&1&1

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#05361

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzo[d]thiazole
  • DI-TERT-BUTYL DISULFIDE
  • Carbon disulphide
  • 2-Iodoaniline
  • Tert-Butylthiol
  • 2-Mercaptobenzothiazole
  • (2-methylpropan-2-yl)oxy-diphenylphosphane
  • Thiocyanic acid,2-benzothiazolyl ester
  • TERT-BUTYLMAGNESIUM CHLORIDE
  • 2-Methyl-2-propanyl N,N'-diisopropylcarbamimidate

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • Benzothiazole, 2-(1,1-dimethylethyl)-5-methyl- (9CI)
  • Benzothiazole, 2-(1,1-dimethylethyl)-6-methoxy- (9CI)
  • Benzothiazole, 2-(1,1-dimethylethyl)-2,3-dihydro- (9CI)
  • Benzothiazole,2-(1,1-dimethylethyl)-
  • Benzothiazole, 2-(1,1-dimethylethyl)-7-methyl- (9CI)
  • Acetamide, 2-[(1,1-dimethylethyl)thio]-N-1H-pyrazol-4-yl-
  • 4-Chloro-2-(4-fluorophenyl)-6-nitroquinoline
  • 2-(4-Methoxyphenyl)-8,8-dimethyl-7,8-dihydroimidazo[1,2-A]pyrazin-6(5H)-one
  • (R)-2-((Tert-butoxycarbonyl)amino)-6,6,6-trifluorohexanoic acid
  • Ethyl 8-methylquinoline-3-carboxylate
  • 1-(2,3,3,5-Tetramethylindolin-1-yl)ethanone
  • Ethyl 4-chloro-7-isopropylpyrrolo[2,1-F][1,2,4]triazine-5-carboxylate
  • Tert-butyl 7-(1-amino-2-methylpropan-2-YL)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
  • 4-(Tert-butoxycarbonyl)-2,2-dimethylmorpholine-3-carboxylic acid
  • (R)-4-Tert-butyl 3-methyl 2,2-dimethylmorpholine-3,4-dicarboxylate
  • (R)-4-(Tert-butoxycarbonyl)-2,2-dimethylmorpholine-3-carboxylic acid
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