3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE

Modify Date: 2024-01-09 15:14:17

3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE structure	Common Name	3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE
	CAS Number	55514-14-2	Molecular Weight	367.50600
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₆H₁₇NO₃S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	4-methylbenzenesulfonate,3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
Synonym	More Synonyms

Molecular Formula	C₁₆H₁₇NO₃S₃
Molecular Weight	367.50600
Exact Mass	367.03700
PSA	123.00000
LogP	4.42760

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL7080000

CHEMICAL NAME :: Benzothiazolium, 3-methyl-2-methylthio-, p-toluenesulfonate

CAS REGISTRY NUMBER :: 55514-14-2

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H10-N-S2.C7-H7-O3-S

MOLECULAR WEIGHT :: 367.52

WISWESSER LINE NOTATION :: T56 BK DSJ B1 CS1 &WSO&R D1

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 :: 180 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#02000

2-Methylmercapt...

CAS#:615-22-5

Methyl p-toluen...

CAS#:80-48-8

~87%

3-METHYL-2-(MET...

CAS#:55514-14-2

Literature: CANCER RESEARCH TECHNOLOGY LIMITED Patent: US2009/247579 A1, 2009 ; Location in patent: Page/Page column 35 ;

2-Mercaptobenzo...

CAS#:149-30-4

3-METHYL-2-(MET...

CAS#:55514-14-2

Literature: Beilenson; Hamer Journal of the Chemical Society, 1939 , p. 143,149

2-Chloroaniline

CAS#:95-51-2

3-METHYL-2-(MET...

CAS#:55514-14-2

Literature: Li, Xiaokai; Srinivasan, Sharan R.; Connarn, Jamie; Ahmad, Atta; Young, Zapporah T.; Kabza, Adam M.; Zuiderweg, Erik. R. P.; Sun, Duxin; Gestwicki, Jason E. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 11 p. 1042 - 1047

2(3H)-Benzothia...

CAS#:2254-94-6

Methyl p-toluen...

CAS#:80-48-8

3-METHYL-2-(MET...

CAS#:55514-14-2

Literature: Fry; Kendall Journal of the Chemical Society, 1951 , p. 1723,1725

2-Methylmercapt...

CAS#:615-22-5

3-METHYL-2-(MET...

CAS#:55514-14-2

Literature: Fry; Kendall Journal of the Chemical Society, 1951 , p. 1723,1725

Precursor 5
CAS#:615-22-5 2-Methylmercapt... CAS#:80-48-8 Methyl p-toluen... CAS#:149-30-4 2-Mercaptobenzo... CAS#:95-51-2 2-Chloroaniline
CAS#:2254-94-6 2(3H)-Benzothia...
DownStream 1
CAS#:55922-69-5 2-(3-methyl-1,3...

3-Methyl-2-methylthiobenzothiozolium p-toluenesulfonate

BENZOTHIAZOLIUM,3-METHYL-2-METHYLTHIO-,p-TOLUENESULFONATE

EINECS 259-687-2

N-methyl-2-methylthiobenzothiazolium tosylate

N-methyl-2-methylthiobenzothiazolium p-toluenesulfonate

3-METHYL-2-(METHYLTHIO)-BENZOTHIAZOL-IUM-p-TOLUENESULFONATE

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms