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CAS 85903-00-0 2,6-benzo[1,2-b:4,5-b’]dithiophenedicarbaldehyde molecular structure lightbox
CAS RN: 85903-00-0

2,6-benzo[1,2-b:4,5-b’]dithiophenedicarbaldehyde

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100mg Out of stock Inquiry
Batchno.20250713 1g Out of stock Inquiry
Batchno.20251203 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250407 1g In stock Shandong Inquiry
Batchno.20251002 250mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS85903-00-0
  • Purity/Analytical Methods: >99.0%
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85903-00-0 / thieno[2,3-f][1]benzothiole-2,6-dicarbaldehyde

Standard CAS: 85903-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85903-00-0
Multi CAS
No
Molecular Formula
C12H6O2S2
Molecular Weight
246.300000
Exact Mass
245.980922
InChI
InChI=1S/C12H6O2S2/c13-5-9-1-7-3-12-8(4-11(7)15-9)2-10(6-14)16-12/h1-6H
InChIKey
ALRNNAIHJVWUDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.98
TPSA
34.14

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.6
Consensus LogP
3.55
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.57

Drug-likeness / Medicinal Chemistry

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

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