2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid

Modify Date: 2024-01-03 21:06:24

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid Structure
2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid structure
Common Name 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid
CAS Number 1126-44-9 Molecular Weight 170.189
Density 1.5±0.1 g/cm3 Boiling Point 378.4±15.0 °C at 760 mmHg
Molecular Formula C6H6N2O2S Melting Point N/A
MSDS USA Flash Point 182.6±20.4 °C

 Names

Name 2-Methylsulfanylpyrimidine-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 378.4±15.0 °C at 760 mmHg
Molecular Formula C6H6N2O2S
Molecular Weight 170.189
Flash Point 182.6±20.4 °C
Exact Mass 170.014999
PSA 88.38000
LogP 1.82
Appearance of Characters Crystalline Powder | White to pale yellow
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.623
Storage condition 2-8°C

 Safety Information

Hazard Codes Xi
Risk Phrases 36
Safety Phrases 26
HS Code 2933599090

 Synthetic Route

~98%

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid Structure

2-(Methylsulfan...

CAS#:1126-44-9

Literature: Kim, Chong-Ho; Marquez, Victor E.; Mao, David T.; Haines, David R.; McCormack, John J. Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1374 - 1380

~94%

2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid Structure

2-(Methylsulfan...

CAS#:1126-44-9

Literature: Clark, Michael P.; Laughlin, Steven K.; Laufersweiler, Matthew J.; Bookland, Roger G.; Brugel, Todd A.; Golebiowski, Adam; Sabat, Mark P.; Townes, Jennifer A.; VanRens, John C.; Djung, Jane F.; Natchus, Michael G.; De, Biswanath; Hsieh, Lily C.; Xu, Susan C.; Walter, Rick L.; Mekel, Marlene J.; Heitmeyer, Sandra A.; Brown, Kimberly K.; Juergens, Karen; Taiwo, Yetunde O.; Janusz, Michael J. Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2724 - 2727

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-methylsulfanylpyrimidine-4-carboxylic acid
MFCD09834808
2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid, 2-(methylthio)-
2-(Methylsulfanyl)pyrimidine-4-carboxylic acid