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CAS 68867-18-5 2-METHYL-1,3-BENZOTHIAZOL-6-OL molecular structure lightbox
CAS RN: 68867-18-5

2-METHYL-1,3-BENZOTHIAZOL-6-OL

  • Product code: SSC-178534
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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: 10g
  • Available purity: ＞97%
  • 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 68867-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

68867-18-5 / 2-methyl-1,3-benzothiazol-6-ol

Standard CAS: 68867-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68867-18-5
Multi CAS
Yes
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
InChI
InChI=1S/C8H7NOS/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChIKey
ROFBPPIQUBJMRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.02
TPSA
33.12

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.09

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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