2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid

Modify Date: 2025-10-05 18:27:11

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid Structure
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid structure
 Common Name 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
CAS Number 77517-13-6 Molecular Weight 260.31200
Density 1.34g/cm3 Boiling Point 471.9ºC at 760 mmHg
Molecular Formula C13H12N2O2S Melting Point N/A
MSDS N/A Flash Point 239.2ºC

 Names

Name 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 471.9ºC at 760 mmHg
Molecular Formula C13H12N2O2S
Molecular Weight 260.31200
Flash Point 239.2ºC
Exact Mass 260.06200
PSA 88.38000
LogP 2.62870
Index of Refraction 1.652
InChIKey PKESAJRXMWMCKZ-UHFFFAOYSA-N
SMILES Cc1cc(-c2ccccc2)nc(SCC(=O)O)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI9346000
CHEMICAL NAME :
Acetic acid, ((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
CAS REGISTRY NUMBER :
77517-13-6
BEILSTEIN REFERENCE NO. :
0214479
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N2-O2-S
MOLECULAR WEIGHT :
260.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 18,75,1986

 Synthetic Route

Chloroacetic acid structure

Chloroacetic acid

CAS#:79-11-8

~%

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid Structure

2-(4-methyl-6-p...

CAS#:77517-13-6

Literature: v. Merkatz Chemische Berichte, 1919 , vol. 52, p. 876

 Synonyms

F0176-0088
2-Pyrimidinethioacetic acid,4-methyl-6-phenyl
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Chemsrc provides CAS#:77517-13-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid>> amp version: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid

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