CAS 137830-77-4 2-Methyl-[1,2,6]thiadiazinane 1,1-dioxide (HCID 10080560)

基本情報

CAS: 137830-77-4
標準SMILES: CN1CCCNS1(=O)=O
InChIKey: BXAHKRQLBBUNGK-UHFFFAOYSA-N
分子式: C4H10N2O2S
平均分子量: 150.2 g/mol
単同位体質量: 150.04629874

名称と識別子

優先名称: 2-Methyl-[1,2,6]thiadiazinane 1,1-dioxide
IUPAC: 2-methyl-1,2,6-thiadiazinane 1,1-dioxide
現地名: 2-メチル-[1,2,6]チアジアジナン1,1-ジオキシド
英語名: 2-Methyl-[1,2,6]thiadiazinane 1,1-dioxide
分子式: C4H10N2O2S
分子量: 150.2

名称と別名

2-Methyl-[1,2,6]thiadiazinane 1,1-dioxide2-Methyl-(1,2,6)thiadiazinane 1,1-dioxideRefChem:474717864-578-32-methyl-1,2,6-thiadiazinane 1,1-dioxide137830-77-4MFCD066577632H-1,2,6-Thiadiazine, tetrahydro-2-methyl-, 1,1-dioxideSCHEMBL4061960DTXSID10435223CS-W0062512-Methyl-1lambda~6~,2,6-thiadiazinane-1,1-dione

名称をさらに表示

2-メチル-[1,2,6]チアジアジナン1,1-ジオキシド2-methyl-3,4,5,6-tetrahydro-1,2,6-thiadiazine-1,1-dioxide

Z11981693752-methyl-1,2,6-tSCHEMBL993351BXAHKRQLBBUNGK-UHFFFAOYSA-NMFA83077AKOS0062933812-Methyl-126-thiadiazinane 11-dioxideDS-16261

データベース識別子

CAS: 137830-77-4
PubChem CID: 10080560
DTXSID: DTXSID10435223
EC Number: 864-578-3

物性

構造計算による物性

XLogP: -0.6
極性表面積: 57.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 181

物理化学的性質

沸点: 241.6 · 241.6±23.0 °C(Predicted)
比重(密度): 1.25 · 1.250±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 12.5 · 12.50±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.