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CAS 60666-83-3 3-(Benzyloxy)isothiazole molecular structure lightbox
CAS RN: 60666-83-3

3-(Benzyloxy)isothiazole

  • Product code: SSC-169292
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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: 3
  • 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 60666-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

60666-83-3 / 3-phenylmethoxy-1,2-thiazole

Standard CAS: 60666-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60666-83-3
Multi CAS
No
Molecular Formula
C10H9NOS
Molecular Weight
191.250000
Exact Mass
191.040485
InChI
InChI=1S/C10H9NOS/c1-2-4-9(5-3-1)8-12-10-6-7-13-11-10/h1-7H,8H2
InChIKey
AIQQNUUPCJHSNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.89
TPSA
22.12

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

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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