Basic information
- CAS
33447-90-4- Standard SMILES
CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O- InChIKey
JDZNTUQRMDAIRO-UHFFFAOYSA-N- Molecular formula
- C8H18O6S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.05448064
Overview
Dimethylmyleran is a methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. It has a role as an alkylating agent and a mutagen.
Names & identifiers
- Preferred name
- Dimethylbusulfan
- IUPAC
- 5-methylsulfonyloxyhexan-2-yl methanesulfonate
- English name
- dimethylmyleran
- Molecular formula
- C8H18O6S2
- Molecular weight
- 274.35
Names & synonyms
DimethylmyleranDimethylbusulfan55-93-62,5-Dimethanesulfomyloxyhexanehexane-2,5-diyl dimethanesulfonate1,4-Dimethanesulfonoxy-1,4-dimethylbutane1,4-Bis(methylsulfonyloxy)-1,4-dimethylbutaneCHEBI:67107DTXSID601339464NSC23890NSC180541NSC180542
Show more names
Cb 2348NSC-23890Dimetylmyleran2,5-Hexanediol, dimethylsulfonate2,5-Hexanediol, dimethanesulfonate2,5-Hexanediol, 2,5-dimethanesulfonate2,5-Hexanedisulfonic acid dimethyl ester
NSC180543Dimethyl-Myleran2,5-hexanediol dimethanesulfonateRefChem:9203282,5-DimethanesulfonoxyhexaneDTXCID1013830781,4-dimethylmyleran1,4-dimethylbusulfan
Database identifiers
- CAS
33447-90-4、33447-91-5、55-93-6- PubChem CID
- 5937
- DTXSID
DTXSID601339464
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 387.34 °C · 387.34°C (rough estimate)
- Density
- 1.4912 · 1.4912 (rough estimate)
- refractive index
- 1.563 · 1.5630 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers4 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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