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MeDTC

CAT: 0013-GTR19234987-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234987-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MeDTC (S-Methyl-N, N-diethylthiocarbamate Sulfone) is an irreversible aldehyde dehydrogenase (ALDH) inhibitor and a key metabolite of Disulfiram. It is a valuable research tool for studying alcohol metabolism, cancer stem cells, and addiction mechanisms in both in vitro and in vivo models.
CAS Number
155514-79-7
Smiles
C (N (CC) CC) (S (C) (=O) =O) =O
Molecular Formula
C6H13NO3S
Molecular Weight
179.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S-Methyl-N,N-diethylthiocarbamate Sulfone
CAS Number155514-79-7
PubChem CID3552889
IUPAC NameN,N-diethyl-1-methylsulfonylformamide
Molecular FormulaC6H13NO3S
Molecular Weight179.24
XLogP0.1
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity223
SMILES
CCN(CC)C(=O)S(=O)(=O)C
InChI
InChI=1S/C6H13NO3S/c1-4-7(5-2)6(8)11(3,9)10/h4-5H2,1-3H3
InChIKey
XRFGLFAEBISDIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-Methyl-N,N-diethylthiocarbamate Sulfone
CAS: 155514-79-7
CID: 3552889
Formula: C6H13NO3S
MW: 179.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.24
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass179.06161445
Monoisotopic Mass179.06161445
Topological Polar Surface Area62.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity223
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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