Basic information
- CAS
45127-11-5- Standard SMILES
O=S(=O)(O)CCSSCCS(=O)(=O)O- InChIKey
BYUKOOOZTSTOOH-UHFFFAOYSA-N- Molecular formula
- C4H10O6S4
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 281.93602273
Names & identifiers
- Preferred name
- 2,2'-Dithiodiethanesulfonic acid
- IUPAC
- 2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
- English name
- Coenzyme
- Molecular formula
- C4H10O6S4
- Molecular weight
- 282.38
Names & synonyms
45127-11-52,2'-Dithiodiethanesulfonic acidBis(2-sulfoethyl)disulfideEthanesulfonic acid, 2,2'-dithiobis-6Q2L2H0POFomega,omega'-Ethanedisulfidedisulfonic acidDTXSID40196395RefChem:80735DTXCID501188862,2'-dithiodiethanesulfonic acid, disodium salt2,2'-disulfanediyldiethanesulfonic acid2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
Show more names
AQX-1125Mesna Related CoMpound BDisulfide compoundω,ω'-Ethanedisulfidedisulfonic Acid
Mesna EP Impurity DDIMESNA FREE ACIDCoenzyme(2,2-(disulfane diyl)bis(ethanesulphonic acid)MFCD00869318C4H10O6S4UNII-6Q2L2H0POF2,2'-Dithidi-1-ethanesulfonic acid
Database identifiers
- CAS
45127-11-5- PubChem CID
- 65626
- DTXSID
DTXSID40196395- ChEMBL
CHEMBL2009034- UNII
- 6Q2L2H0POF
- Nikkaji
- J670.365H
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Density
- 1.769 · 1.769±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 1.02 · 1.02±0.50(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2
- InChIKey
- KQYGMURBTJPBPQ-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[S](=O)(=O)([O-])CCSSCC[S](=O)(=O)[O-]
- FDA UNII
- 6 Q2L2H0POF · 6Q2L2H0POF
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2930909165 · 2930909165
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2930909165
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSynthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
Applications
UsesCoenzyme M can be used for F430 Biosynthesis and insertion.
Suppliers29 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
5 records
Compound notes
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