4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)-

Modify Date: 2024-01-10 11:54:15

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure
4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- structure
 Common Name 4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)-
CAS Number 80306-55-4 Molecular Weight 232.30100
Density N/A Boiling Point N/A
Molecular Formula C12H12N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(2-methylphenyl)-2-(methylthio)-4(3H)-Pyrimidinone
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H12N2OS
Molecular Weight 232.30100
Exact Mass 232.06700
PSA 60.19000
LogP 2.26280

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7533535
CHEMICAL NAME :
4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
80306-55-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-N2-O-S
MOLECULAR WEIGHT :
232.32

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 :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,789,1983

 Synthetic Route

methyl N'-(2-methylphenyl)carbamimidothioate structure

methyl N'-(2-me...

CAS#:80306-60-1

Ethyl propiolate structure

Ethyl propiolate

CAS#:623-47-2

~68%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C.; Dua, P. R.; Prasad, C. R.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 8 p. 789 - 794
1-(2-Methylphenyl)thiourea structure

1-(2-Methylphen...

CAS#:614-78-8

~%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
Usaf k-1471 structure

Usaf k-1471

CAS#:4949-88-6

~%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
o-Toluidine structure

o-Toluidine

CAS#:95-53-4

~%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
3-(2'-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone-5-carboxylic acid structure

3-(2'-Methylphe...

CAS#:82636-27-9

~24%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
methyl N'-(2-methylphenyl)carbamimidothioate structure

methyl N'-(2-me...

CAS#:80306-60-1

~%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
ethyl 1-(2-methylphenyl)-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate structure

ethyl 1-(2-meth...

CAS#:82636-16-6

~%

4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)- Structure

4(3H)-Pyrimidin...

CAS#:80306-55-4

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233

 Synonyms

3-(2-methylphenyl)-2-methylthio-4(3H)-pyrimidinone
3-('-Methylphenyl)-2-methylmercapto-4-(3H)pyrimidone
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Chemsrc provides CAS#:80306-55-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)->> amp version: 4(3H)-Pyrimidinone,3-(2-methylphenyl)-2-(methylthio)-

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