1,3-Butanediol, dimethanesulfonate

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Basic information

CAS: 64923-50-8
Standard SMILES: CC(CCOS(C)(=O)=O)OS(C)(=O)=O
InChIKey: SCXGDEPESDDDLL-UHFFFAOYSA-N
Molecular formula: C6H14O6S2
Average molar mass: 246.3 g/mol
Monoisotopic mass: 246.02318051

Names & identifiers

Preferred name: 1,3-Butanediol, dimethanesulfonate
IUPAC: 3-methylsulfonyloxybutyl methanesulfonate

Names & synonyms

64923-50-81,3-Butanediol, dimethanesulfonateRefChem:10527523-methylsulfonyloxybutyl methanesulfonatebutane-1,3-diyl dimethanesulfonate(R)-Butane-1,3-diyl dimethanesulfonateNSC220530SCHEMBL575402SCXGDEPESDDDLL-UHFFFAOYSA-NDTXSID5013850521,3-bis-(methanesulfonyloxy) butaneNSC 220530

Show more names

NSC-220530

Database identifiers

CAS: 64923-50-8
PubChem CID: 99795
DTXSID: DTXSID501385052
Nikkaji: J2.943.508A

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 343

Related reactions

3 records

New reaction record

HRID 128892As reactantuspto-grants-1995_11

HRID 2226352As reactantuspto-grants-1994_09

HRID 2396411As reactantuspto-grants-1996_02

Compound notes

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