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CAS 1263378-88-6 2-Chloro-1-(2-chloro-thiazol-5-yl)-ethanone molecular structure lightbox
CAS RN: 1263378-88-6

2-Chloro-1-(2-chloro-thiazol-5-yl)-ethanone

  • Product code: SSC-033477
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263378-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry

1263378-88-6 / 2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanone

Standard CAS: 1263378-88-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1263378-88-6
Multi CAS
No
Molecular Formula
C5H3Cl2NOS
Molecular Weight
196.050000
Exact Mass
194.931240
SMILES
C1=C(SC(=N1)Cl)C(=O)CCl
InChI
InChI=1S/C5H3Cl2NOS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2
InChIKey
HLWSJFNCRQBIDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
42.17
TPSA
29.96

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (99%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (99%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (99%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501

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