[email protected]
CAS 18646-81-6 thieno[3,2-b]thiophene-2,5-dicarboxylic acid molecular structure lightbox
CAS RN: 18646-81-6

thieno[3,2-b]thiophene-2,5-dicarboxylic acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 100mg In stock Shanghai Inquiry
Batchno.20250510 1g In stock Shanghai Inquiry
Batchno.20251116 250mg In stock Shanghai Inquiry
Batchno.20250219 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260206 100mg Out of stock 8-10 business days Inquiry
Batchno.20260315 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS18646-81-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18646-81-6 / thieno[3,2-b]thiophene-2,5-dicarboxylic acid

Standard CAS: 18646-81-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18646-81-6
Multi CAS
No
Molecular Formula
C8H4O4S2
Molecular Weight
228.200000
Exact Mass
227.955101
SMILES
C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C8H4O4S2/c9-7(10)5-1-3-4(14-5)2-6(13-3)8(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey
JMURVZFFOUWCNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.62
TPSA
74.6

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.4
Consensus LogP
2.28
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us