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Methimazole-d3

CAT: 1596-AR-M01549-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01549-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160932-07-9
Synonyms
3- (trideuteriomethyl) -1H-imidazole-2-thione; 1,3-Dihydro-1- (methyl-d3) -2H-imidazole-2-thione; 1-Methylimidazole-d3-2-thiol; Mercazolyl-d3; Thiamazole-d3; Basolan-d3; Mercazole-d3; Metazolo-d3; Tapazole-d3
Molecular Formula
C4H3N2SD3
Molecular Weight
117.18
API Name
Methimazole

Chemical Information

3-(trideuteriomethyl)-1H-imidazole-2-thione
CAS Number1160932-07-9
PubChem CID42641318
IUPAC Name3-(trideuteriomethyl)-1H-imidazole-2-thione
Molecular FormulaC4H6N2S
Molecular Weight117.19
XLogP-0.3
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity119
SMILES
[2H]C([2H])([2H])N1C=CNC1=S
InChI
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)/i1D3
InChIKey
PMRYVIKBURPHAH-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 3-(trideuteriomethyl)-1H-imidazole-2-thione
CAS: 1160932-07-9
CID: 42641318
Formula: C4H6N2S
MW: 117.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.19
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass117.04399961
Monoisotopic Mass117.04399961
Topological Polar Surface Area47.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity119
Isotope Atom Count3
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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