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CAS 101012-12-8 2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 101012-12-8

2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001869
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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: 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101012-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

101012-12-8 / 2-chloro-1,3-thiazole-5-carboxylic acid

2-Chloro-5-thiazolecarboxylic acid | 2-chloro-thiazole-5-carboxylic acid | RefChem:470359

Standard CAS: 101012-12-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101012-12-8
Multi CAS
Yes
Molecular Formula
C4H2ClNO2S
Molecular Weight
163.580000
Exact Mass
162.949477
SMILES
C1=C(SC(=N1)Cl)C(=O)O
InChI
InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKey
HNJOKQPEJIWTRF-UHFFFAOYSA-N
Synonyms
2-Chloro-5-thiazolecarboxylic acid 2-chloro-thiazole-5-carboxylic acid RefChem:470359 800-347-5 2-chloro-1,3-thiazole-5-carboxylic Acid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.08
TPSA
50.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H410 (93.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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