6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one

HCID 817872CAS 86488-00-8

基本情報

標準SMILES: Cc1nc2sccn2c(=O)c1CCCl
InChIKey: SVZSNASRUSJMAF-UHFFFAOYSA-N
分子式: C9H9ClN2OS
平均分子量: 228.7 g/mol
単同位体質量: 228.01241159

名称と識別子

優先名称: 6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
IUPAC: 6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

名称と別名

6-(2-chloroethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-oneRefChem:539191853-349-386488-00-86-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-oneMFCD020938035H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(2-chloroethyl)-7-methyl-6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneSCHEMBL4497496DTXSID80355868SVZSNASRUSJMAF-UHFFFAOYSA-N

名称をさらに表示

LDA48800NCGC00660406-01BS-41673SY173137DB-382861CS-0061204EN300-199680F466698

データベース識別子

CAS: 86488-00-8
PubChem CID: 817872
DTXSID: DTXSID80355868
EC Number: 853-349-3

物性

構造計算による物性

XLogP: 1.4
極性表面積: 58 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: 2
重原子数: 14
形式電荷: 0
複雑度: 373

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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