CAS RN: 1160932-07-9
Methimazole-D3
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1160932-07-9
- Purity/Analytical Methods: >99.0%
1160932-07-9 / 3-(trideuteriomethyl)-1H-imidazole-2-thione
methimazole | thiamazole | Tapazole
Basic Information
CAS
1160932-07-9
Multi CAS
Yes
Molecular Formula
C4H6N2S
Molecular Weight
117.190000
Exact Mass
117.044000
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
Synonyms
methimazole
thiamazole
Tapazole
1-Methyl-1H-imidazole-2-thiol
1-Methylimidazole-2-thiol
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.6
TPSA
20.72
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
-0.3
Consensus LogP
0.57
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501
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