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CAS 15058-19-2 2-METHYL-2-THIAZOLINE-4-CARBOXYLIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 15058-19-2

2-METHYL-2-THIAZOLINE-4-CARBOXYLIC ACID SODIUM SALT

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250228 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260403 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251229 25mg In stock Shanghai Inquiry
Batchno.20260214 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260616 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS15058-19-2
  • Purity/Analytical Methods: >99.0%
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15058-19-2 / sodium 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate

Standard CAS: 15058-19-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15058-19-2
Multi CAS
No
Molecular Formula
C5H6NNaO2S
Molecular Weight
167.160000
Exact Mass
167.001694
SMILES
CC1=NC(CS1)C(=O)[O-].[Na+]
InChI
InChI=1S/C5H7NO2S.Na/c1-3-6-4(2-9-3)5(7)8;/h4H,2H2,1H3,(H,7,8);/q;+1/p-1
InChIKey
KDIYEJLRFZLXKU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
34.36
TPSA
52.49

LogP / Solubility

WLOGP
-3.73
MLOGP
-3.28
XLogP3
-3.73
Consensus LogP
-3.58
Log S (ESOL)
1.54
Class (ESOL)
Highly soluble
Log S (Ali)
1.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.23
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H303 (33.3%): May be harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): 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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