Basic information
- CAS
156-72-9- Standard SMILES
CS(=O)(=O)OCOS(C)(=O)=O- InChIKey
IQLZWWDXNXZGPK-UHFFFAOYSA-N- Molecular formula
- C3H8O6S2
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 203.97622998
Overview
Methylene Dimethane Sulfonate is a member of the homologous series of dimethane sulphonic acid esters with alkylating properties. Methylene dimethane sulfonate alkylates DNA, resulting in interstrand DNA crosslinking, inhibition of DNA replication, disruption of the cell cycle, and cell death.
Names & identifiers
- Preferred name
- Methanediol, 1,1-dimethanesulfonate
- IUPAC
- methylsulfonyloxymethyl methanesulfonate
- English name
- Methylene dimethanesulfonate
- Molecular formula
- C3H8O6S2
- Molecular weight
- 204.22
Names & synonyms
156-72-9Methylene dimethanesulfonateMETHANEDIOL, DIMETHANESULFONATER49AEH8FWSMethanediol, 1,1-dimethanesulfonateNSC-171337DTXSID00166019RefChem:925566DTXCID3088510(methanesulfonyloxy)methyl methanesulfonateMDMSmethylsulfonyloxymethyl methanesulfonate
Show more names
Methylenebis(methanesulfonate)
Methylene dimethane sulfonateMethylene bis(methanesulfonate)Methanesulfonic acid, methylene esterENT-51799NSC 171337BRN 1785371AI3-51799Methanesulphonate diesters
Database identifiers
- CAS
156-72-9- PubChem CID
- 9083
- DTXSID
DTXSID00166019- ChEMBL
CHEMBL1996382- UNII
- R49AEH8FWS
- Nikkaji
- J53.690C
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 312.71 °C · 312.71°C (rough estimate)
- Density
- 1.464 · 1.464 (estimate)
- refractive index
- 1.563 · 1.5630 (estimate)
- FDA UNII
- 49 AEH8FWS · R49AEH8FWS
- NCI Drug Dictionary
- methylene dimethane sulfonate
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海固帮新材料科技有限公司021-51317962 · [email protected]
Related reactions
1 records
Compound notes
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