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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
3882-98-2 / 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
Basic Information
CAS
3882-98-2
Multi CAS
Yes
Molecular Formula
C3H7CLN2S
Molecular Weight
138.620000
Exact Mass
138.001847
InChI
InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChIKey
CODJLHDDIDUKMD-UHFFFAOYSA-N
Physical Properties
Melting Point
392 to 396 °F (NTP, 1992)
Physical Description
2-amino-2-thiazoline hydrochloride is a cream colored crystalline solid. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.2
TPSA
38.38
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.23
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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2-Isobutyl-4,5-dimethyl-3-thiazoline (mixture of isomers)
- CAS RN: 65894-83-9
- Product Code: SSC-175509
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