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CAS 183960-95-4 Dithieno[3,2-b:2′,3′-d]thiophene-2-boronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 183960-95-4

Dithieno[3,2-b:2′,3′-d]thiophene-2-boronic Acid (contains varying amounts of Anhydride)

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250823 100mg In stock Shanghai Inquiry
Batchno.20250816 1g In stock Shanghai Inquiry
Batchno.20260316 250mg In stock Shanghai Inquiry
Batchno.20250920 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-085087
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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: 0.25g
  • 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 183960-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

183960-95-4 / 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylboronic acid

Standard CAS: 183960-95-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
183960-95-4
Multi CAS
No
Molecular Formula
C8H5BO2S3
Molecular Weight
240.100000
Exact Mass
239.954473
SMILES
B(C1=CC2=C(S1)C3=C(S2)C=CS3)(O)O
InChI
InChI=1S/C8H5BO2S3/c10-9(11)6-3-5-8(14-6)7-4(13-5)1-2-12-7/h1-3,10-11H
InChIKey
NCQLXXAFCGRZLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.91
TPSA
40.46

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.87

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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