![CAS 1187932-70-2 2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82726108.gif)
CAS RN: 1187932-70-2
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride
- Product code: SSC-018865
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1187932-70-2 / 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrochloride
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride | 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrochloride | DTXSID40743520
Basic Information
CAS
1187932-70-2
Multi CAS
Yes
Molecular Formula
C6H9ClN2S
Molecular Weight
176.670000
Exact Mass
176.017497
SMILES
CC1=NC2=C(S1)CNC2.Cl
InChI
InChI=1S/C6H8N2S.ClH/c1-4-8-5-2-7-3-6(5)9-4;/h7H,2-3H2,1H3;1H
InChIKey
OPMUCNMJXPWHMF-UHFFFAOYSA-N
Synonyms
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrochloride
DTXSID40743520
MFCD11506339
SY347976
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.64
TPSA
24.92
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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