CAS 374824-28-9 2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine (HCID 22337487)

基本情報

CAS: 374824-28-9
標準SMILES: c1ccc(-c2nc3c(s2)CNCC3)cc1
InChIKey: ZWIKGWINLWHWRV-UHFFFAOYSA-N
分子式: C12H12N2S
平均分子量: 216.3 g/mol
単同位体質量: 216.07211938

名称と識別子

優先名称: 2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
IUPAC: 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
英語名: 2-PHENYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDINE
分子式: C12H12N2S
分子量: 216.3

名称と別名

2-phenyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridineRefChem:478083834-220-0374824-28-92-Phenyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine2-phenyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine2-PHENYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDINESCHEMBL407298DTXSID40624941ZWIKGWINLWHWRV-UHFFFAOYSA-N

名称をさらに表示

4,5,6,7-tetrahydro-2-phenyl-Thiazolo[5,4-c]pyridineThiazolo[5,4-c]pyridine, 4,5,6,7-tetrahydro-2-phenyl-

ZPA82428MFCD09702700AKOS004912434CCG-355640DA-22023NS-02512EN300-236542G23299

データベース識別子

CAS: 374824-28-9
PubChem CID: 22337487
DTXSID: DTXSID40624941
EC Number: 834-220-0

物性

構造計算による物性

XLogP: 2.1
極性表面積: 53.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 216

物理化学的性質

沸点: 394.9 · 394.9±34.0 °C(Predicted)
比重(密度): 1.199 · 1.199±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 7.74 · 7.74±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.