2-(Methylthio)-4-(tributylstannyl)pyrimidine

HCID 2763261CAS 123061-49-4

基本情報

標準SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnc(SC)n1
InChIKey: PTONZGYJJBJAGZ-UHFFFAOYSA-N
分子式: C17H32N2SSn
平均分子量: 415.2 g/mol
単同位体質量: 416.13081472

名称と識別子

優先名称: 2-(Methylthio)-4-(tributylstannyl)pyrimidine
IUPAC: tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
英語名: 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE
分子式: C17H32N2SSn
分子量: 415.22

名称と別名

2-(Methylthio)-4-(tributylstannyl)pyrimidine123061-49-4DTXSID20376850RefChem:254372DTXCID30327878Tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane2-(methylsulfanyl)-4-(tributylstannyl)pyrimidinePyrimidine, 2-(methylthio)-4-(tributylstannyl)-2-Methylthio-4-(tributylstannyl)pyrimidine4-(Tributylstannyl)-2-(methylthio)pyrimidineSCHEMBL181124orb2940977

名称をさらに表示

SKL10442-Methylthiol-4-tributyltinpyMidine4-TRIBUTYLSTANNYL-2-THIOMETHYLPYRIMIDINE2-Methylthio-4-(tri-n-butylstannyl)pyriMidine, 96%2-(Methylthio)-4-(tributylstannyl)pyrimidine - [M2254]2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE ISO 9001：2015 REACH

PTONZGYJJBJAGZ-UHFFFAOYSA-N2-(Methylthio)-4-(Tributylstannyl)TXB-00139AKOS015843045AB08853HY-W0351782-Methylthio-4-tributylstannylpyrimidine2-methylthio-4-tri-butylstannylpyrimidine

データベース識別子

CAS: 123061-49-4
PubChem CID: 2763261
DTXSID: DTXSID20376850
EC Number: 677-918-9
Nikkaji: J1.940.637G

物性

構造計算による物性

極性表面積: 51.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 11
重原子数: 21
形式電荷: 0
複雑度: 241

物理化学的性質

沸点: 112 °C · 112 °C(Press: 0.01 Torr)
貯蔵温度: 2 · 2-8°C
外見: Liquid
酸解離定数(Pka): 0 · 0+-.0.31(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.