1,2-Benzothiazolin-3-one, 6-methyl-

Modify Date: 2025-08-25 16:37:14

1,2-Benzothiazolin-3-one, 6-methyl- Structure
1,2-Benzothiazolin-3-one, 6-methyl- structure
 Common Name 1,2-Benzothiazolin-3-one, 6-methyl-
CAS Number 4337-47-7 Molecular Weight 165.21200
Density 1.302g/cm3 Boiling Point N/A
Molecular Formula C8H7NOS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 6-methyl-1,2-benzothiazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.302g/cm3
Molecular Formula C8H7NOS
Molecular Weight 165.21200
Exact Mass 165.02500
PSA 61.10000
LogP 1.89800
Index of Refraction 1.639
InChIKey MKOBQYYGSDGUMU-UHFFFAOYSA-N
SMILES Cc1ccc2c(=O)[nH]sc2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4565000
CHEMICAL NAME :
1,2-Benzothiazolin-3-one, 6-methyl-
CAS REGISTRY NUMBER :
4337-47-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N-O-S
MOLECULAR WEIGHT :
165.22
WISWESSER LINE NOTATION :
T56 BSMVJ H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
510 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,1301,1964

 Synthetic Route

2-bromo-4-methylbenzamide structure

2-bromo-4-methy...

CAS#:131002-03-4

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~48%

1,2-Benzothiazolin-3-one, 6-methyl- Structure

1,2-Benzothiazo...

CAS#:4337-47-7

Literature: Wang, Fei; Chen, Chao; Deng, Geng; Xi, Chanjuan Journal of Organic Chemistry, 2012 , vol. 77, # 8 p. 4148 - 4151
4,4'-dimethyl-2,2'-disulfanediyl-bis-benzamide structure

4,4'-dimethyl-2...

CAS#:18239-95-7

~%

1,2-Benzothiazolin-3-one, 6-methyl- Structure

1,2-Benzothiazo...

CAS#:4337-47-7

Literature: Fischer,R.; Hurni,H. Arzneimittel Forschung, 1964 , vol. 14, p. 1301 - 1306
4,4'-dimethyl-2,2'-disulfanediyl-bis-benzoyl chloride structure

4,4'-dimethyl-2...

CAS#:18394-74-6

~%

1,2-Benzothiazolin-3-one, 6-methyl- Structure

1,2-Benzothiazo...

CAS#:4337-47-7

Literature: Ponci,R. et al. Farmaco, Edizione Scientifica, 1967 , vol. 22, p. 935 - 946

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

6-Methyl-1,2-benzisothiazolone
6-methyl-benzo[d]isothiazol-3-one
1,2-Benzothiazolin-3-one,6-methyl
6-methyl-1,2-benzothiazol-3(2h)-one
6-Methyl-3-oxo-2,3-dihydro-1,2-benzisothiazol
6-Methyl-1,2-benzisothiazolin-3-one
6-methylbenzisothiazol-3(2H)-one
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