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CAS 522-75-8 Thioindigo molecular structure lightbox
CAS RN: 522-75-8

Thioindigo

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251115 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260512 500g In stock Shenzhen Inquiry
Batchno.20250322 5g In stock Shanghai Inquiry
  • Product code: SSC-159295
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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: 100g
  • 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 522-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

522-75-8 / 2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one

Standard CAS: 522-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
522-75-8
Multi CAS
Yes
Molecular Formula
C16H8O2S2
Molecular Weight
296.400000
Exact Mass
295.996572
InChI
InChI=1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H
InChIKey
JOUDBUYBGJYFFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
H-bond acceptors
4
Molar refractivity
80.29
TPSA
34.14

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
4.1
Consensus LogP
3.99
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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