3-アミノテトラヒドロチオフェン1,1-ジオキシド塩酸塩

3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride

HCID 2795201CAS 51642-03-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.NC1CCS(=O)(=O)C1
InChIKey: MGZQMSFXPSKBDY-UHFFFAOYSA-N
分子式: C4H10ClNO2S
平均分子量: 171.65 g/mol
単同位体質量: 171.0120774

名称と識別子

優先名称: 3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
IUPAC: 1,1-dioxothiolan-3-amine;hydrochloride
現地名: 3-アミノテトラヒドロチオフェン1,1-ジオキシド塩酸塩
英語名: 3-Aminotetrahydro-1H-1lambda6-thiophene-1,1-dione hydrochloride
分子式: C4H10ClNO2S
分子量: 171.65

名称と別名

3-AMinotetrahydrothiopene 1,1-dioxide hydrochlorideRefChem:497815695-206-651642-03-63-Aminotetrahydrothiophene 1,1-dioxide hydrochloride1,1-dioxidotetrahydrothien-3-ylamine hydrochlorideMFCD004565841,1-dioxothiolan-3-amine;hydrochlorideTETRAHYDRO-3-THIOPHENAMINE 1,1-DIOXIDE HYDROCHLORIDE3-amino-1lambda-thiolane-1,1-dione hydrochloride(1,1-dioxidotetrahydro-3-thienyl)amine hydrochlorideTetrahydro-3-thiophenamine 1,1-dioxide HCl

名称をさらに表示

3-アミノテトラヒドロチオフェン1,1-ジオキシド塩酸塩3‐アミノテトラヒドロチオフェン1,1‐ジオキシド塩酸塩1,1-ジオキシドテトラヒドロチエン-3-イルアミン塩酸塩3-Aminosulfolane hydrochlorideTetrahydro-3-thiophenaMine 13-AMINOTHIOLANE-1,1-DIONE, HYDROCHLORIDE1,1-Dioxidotetrahydrothien-3-ylaMine, HCl3-AMINOTETRAHYDROTHIOPHENE 1,1-DIOXIDE HCL3-amino-1λ-thiolane-1,1-dione hydrochlorideTETRAHYDROTHIOPHEN-3-AMINIUM 1,1-DIOXIDE CHLORIDE

AKOS003621287F0802-00393-Thiophenamine, tetrahydro-, 1,1-dioxide, hydrochloride1,1-Dioxo-tetrahydrothiophen-3-ylamine, HClTetrahydrothiophen-3-amine 1,1-dioxide hydrochlorideSCHEMBL1071510DTXSID90383576MGZQMSFXPSKBDY-UHFFFAOYSA-N

データベース識別子

CAS: 51642-03-6
PubChem CID: 2795201
DTXSID: DTXSID90383576
EC Number: 695-206-6

物性

構造計算による物性

極性表面積: 68.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 167

物理化学的性質

融点: 208 °C · 208 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (96.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090
hazard_code: Xi
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

上流原料

3-スルホレン水和物エタノール塩酸

サプライヤー50 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]