3-氨基环丁砜

3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride

HCID 2795201CAS 51642-03-6

子结构检索查找相似结构

基本信息

标准SMILES: Cl.NC1CCS(=O)(=O)C1
InChIKey: MGZQMSFXPSKBDY-UHFFFAOYSA-N
分子式: C4H10ClNO2S
平均分子量: 171.65 g/mol
单同位素质量: 171.0120774

名称与标识

首选名称: 3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
IUPAC: 1,1-dioxothiolan-3-amine;hydrochloride
中文名: 3-氨基环丁砜
英文名: 3-Aminotetrahydro-1H-1lambda6-thiophene-1,1-dione hydrochloride
分子式: C4H10ClNO2S
分子量: 171.65

名称与别名

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

展开更多名称

3-氨基环丁砜3-氨基环丁砜盐酸盐3-氨基四氢噻吩 1,1-二氧代盐酸盐3-氨基四氢噻吩-1,1-二氧化物盐酸盐四氢噻吩胺盐酸-3-氢噻吩1,1-二氧化物1,1-二OXIDO四氢噻吩-3-氨盐酸盐3-AMINO-1位鈦THIOLANE-1,1-DIONE HYDROCHLORIDE3-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

数据库标识

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

性质

结构计算性质

极性表面积: 68.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 167

物理化学性质

熔点: 208 °C · 208 °C
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外观: White to off-white Solid

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

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

安全数据

危险等级: IRRITANT
海关编码: 2934999090
危险品标志: Xi

化学与工业

制备方法 · 1 条

生产方法1. 1,1-二氧代-四氢-噻吩-3-基胺盐酸盐的制备：将3-环丁烯砜（化合物10a，0.5g，4.2mmol）溶于10mL 26%氨水（NH4OH）中，置于密封反应管中，于80℃加热反应4小时。反应完成后，将混合物减压浓缩，得到黄色油状物。将该油状物溶解于3mL乙醇（EtOH）中，缓慢加入1mL浓盐酸（HCl）进行酸化处理。酸化后的混合物搅拌0.5小时，随后加入乙醚以促进盐酸盐结晶析出。通过过滤收集固体产物，用乙醚洗涤，最后在真空条件下干燥，得到1,1-二氧代-四氢-噻吩-3-基胺盐酸盐（化合物10b，0.533g，产率74%）。参考文献：[1] Patent: WO2008/33562, 2008, A2. Location in patent: Page/Page column 42[2] Patent: US2009/76005, 2009, A1. Location in patent: Page/Page column 17

上下游产品信息

上游原料

3-环丁烯砜水乙醇盐酸

试剂价格

XW025164203606 · 25G: 3-氨基环丁砜盐酸盐 — 2172元
XW025164203605 · 10G: 3-氨基环丁砜盐酸盐 — 903元

供应商50 家

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]

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