CAS RN: 1187932-87-1
C-(5-Chloro-thiazol-2-yl)-methylamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1187932-87-1
- Purity/Analytical Methods: >99.0%
1187932-87-1 / (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride
1-(5-CHLORO-1,3-THIAZOL-2-YL)METHANAMINE HYDROCHLORIDE | RefChem:426334 | 890-209-0
Basic Information
CAS
1187932-87-1
Multi CAS
Yes
Molecular Formula
C4H6Cl2N2S
Molecular Weight
185.070000
Exact Mass
183.962875
SMILES
C1=C(SC(=N1)CN)Cl.Cl
InChI
InChI=1S/C4H5ClN2S.ClH/c5-3-2-7-4(1-6)8-3;/h2H,1,6H2;1H
InChIKey
UYPOKAOPBHGBLR-UHFFFAOYSA-N
Synonyms
1-(5-CHLORO-1,3-THIAZOL-2-YL)METHANAMINE HYDROCHLORIDE
RefChem:426334
890-209-0
(5-Chlorothiazol-2-yl)methanamine hydrochloride
(5-chloro-1,3-thiazol-2-yl)methanamine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.26
TPSA
38.91
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.68
Consensus LogP
1.61
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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