化工社化工社 化学情報印刷レポート · 研究参考用
HCID 598作成日：2026年10月27日
2-メルカプト-1-エタンスルホン酸
β-メルカプトエタンスルホン酸 · 還元補酵素M · 2-メルカプト-1-エタンスルホン酸 · 2-メルカプトエタンスルホン酸 · 2-メルカプトエタン-1-スルホン酸 · 還元CoM · 2-メルカプトエタンスルホン酸 溶液 · 補酵素M
https://huagongshe.com/ja/chemical/598
識別子と物理属性
| CAS No. | 3375-50-6 |
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| 分子式 | C2H6O3S2 |
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| 平均分子量 | 142.2 g/mol |
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| 単同位体質量 | 141.9758364 g/mol |
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| SMILES | O=S(=O)(O)CCS |
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| InChIKey | ZNEWHQLOPFWXOF-UHFFFAOYSA-N |
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| PubChem CID | 598 |
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| ChEMBL | CHEMBL1098319 |
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| ChEBI | CHEBI:17905 |
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| EC No. | 222-167-0 |
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| DTXSID | DTXSID8023264 |
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| 現地名 | 2-メルカプト-1-エタンスルホン酸 |
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化学・物理的性質
| XLogP | -0.6 |
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| 極性表面積 | 63.8 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 7 |
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| 形式電荷 | 0 |
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| 複雑度 | 118 |
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| Physical Description | Clear, colorless liquid.Solid |
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| 密度 | 1.25 g/mL at 20 °C |
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| 溶解度 | DMSO |
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| 外観・状態 | Powder |
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| pKa（酸解離定数） | pK1:pK2:9.5(－1) (20°C) |
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| 色 | Colorless to light yellow |
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| BRN | 1098878 |
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| InChI | 1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) |
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| InChIKey | ZNEWHQLOPFWXOF-UHFFFAOYSA-N |
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| SMILES | OS(=O)(=O)CCS |
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| CAS データベース | 3375-50-6(CAS DataBase Reference) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (41 of 41) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 41 of 41 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 41 of 41 reports by companies.There are 0 notifications provided by 0 of 41 reports by companies with hazard statement code(s).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.DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
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| 有害性の概要 | Intravenous LD50 (rat) = 1,800 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Pierce Biotechnology MSDS] See Methanesulfonic acid. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%)Not Classified |
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| 有害作用 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during LactationNo information is available on the clinical use of mesna during breastfeeding. Because it is used with toxic drugs such as ifosfamide, the manufacturer recommends to not breastfeed during treatment and for 1 week after the last dose of mesna or ifosfamide.◉ Effects in Breastfed InfantsRelevant published information was not found as of the revision date.◉ Effects on Lactation and Breastmilk |
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| F | 10-23 |
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| 水環境危害等級（WGK） | 2 |
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