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Clomesone

CAT: 0013-GTR19168751-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168751-01Size:1 mg
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Description
Clomesone
CAS Number
88343-72-0
Product Name Alternative
Clomesone
Field of Research
Molecular Biology
Purity
99.00% (May vary between batches)
Solubility
DMSO:55 mg/mL (232.37 mM)
Smiles
C (S (OCCCl) (=O) =O) S (C) (=O) =O
Molecular Formula
C4H9ClO5S2
Molecular Weight
236.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloroethyl 1-(methylsulfonyl)methanesulfonate

Clomesone is the 2-chloroethyl ester of (methylsulfonyl) methanesulfonic acid with potential antineoplastic effects. Acting as a chloroethylating agent, clomesone induces the formation of DNA interstrand crosslinks in some cell lines, and exhibits antitumor activity in some animal models. Alkylating agents exert cytotoxic and, in some cases, chemotherapeutic effects by transferring alkyl groups to DNA, thereby damaging DNA and interfering with DNA synthesis and cell division. (NCI04)

CAS Number88343-72-0
PubChem CID100651
IUPAC Name2-chloroethyl methylsulfonylmethanesulfonate
Molecular FormulaC4H9ClO5S2
Molecular Weight236.7
XLogP-0.3
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity304
SMILES
CS(=O)(=O)CS(=O)(=O)OCCCl
InChI
InChI=1S/C4H9ClO5S2/c1-11(6,7)4-12(8,9)10-3-2-5/h2-4H2,1H3
InChIKey
SEHSPJCWCBQHPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroethyl 1-(methylsulfonyl)methanesulfonate
CAS: 88343-72-0
CID: 100651
Formula: C4H9ClO5S2
MW: 236.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.7
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass235.9579934
Monoisotopic Mass235.9579934
Topological Polar Surface Area94.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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