Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate

HCID 188208
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
7234-25-5
標準SMILES
CCOC(=O)c1cnc(SC)nc1C
InChIKey
LJDJKDAPYUXBPE-UHFFFAOYSA-N
分子式
C9H12N2O2S
平均分子量
212.27 g/mol
単同位体質量
212.06194862

名称と識別子

優先名称
Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate
IUPAC
ethyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate
英語名
4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
分子式
C9H12N2O2S
分子量
212.27

名称と別名

7234-25-5Emtmpc5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl esterEthyl-2-methylthio-4-methyl-5-pyrimidine carboxylateEthyl 2-methylthio-4-5-pyrimidinecarboxylateDTXSID00222669RefChem:139084DTXCID80145160Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylateEthyl 4-Methyl-2-(methylthio)-5-pyrimidinecarboxylate4-Methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl esterethyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate
名称をさらに表示
Ethyl4-methyl-2-(methylthio)pyrimidine-5-carboxylate97%Ethyl 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acidethyl 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate - [E71791]4-Methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester ,97%4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH
ethyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylateMFCD08457402ethyl 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylateCS-W003517SB60576S-7HNaethyl 4-methyl-2-methylthiopyrimidine-5-carboxylateAMY202003287

データベース識別子

CAS
7234-25-5
PubChem CID
188208
DTXSID
DTXSID00222669
EC Number
160-541-4
Nikkaji
J528.913K

物性

構造計算による物性

XLogP
1.7
極性表面積
77.4 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
4
重原子数
14

物理化学的性質

融点
59 · 59-60 °C
沸点
322.1 · 322.1±22.0 °C(Predicted)
比重(密度)
1.21 · 1.21±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
-0.28 · -0.28±0.29(Predicted)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code
29339900
risk_code
20/22
safety_code
36/37

化学と産業

上流・下流製品情報

サプライヤー74 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

関連反応

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化合物ノート

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