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CAS 68867-20-9 6-IODO-2-METHYL-1,3-BENZOTHIAZOLE 90 molecular structure lightbox
CAS RN: 68867-20-9

6-IODO-2-METHYL-1,3-BENZOTHIAZOLE 90

  • Product code: SSC-178535
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 68867-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry

68867-20-9 / 6-iodo-2-methyl-1,3-benzothiazole

Standard CAS: 68867-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68867-20-9
Multi CAS
Yes
Molecular Formula
C8H6InS
Molecular Weight
275.110000
Exact Mass
274.926570
InChI
InChI=1S/C8H6INS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKey
YVXGKAZJAUWMPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
57.07
TPSA
12.89

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3.4
Consensus LogP
3.15
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

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

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