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CAS 175202-55-8 3,4-Dimethylthieno(2,3-b)thiophene-2,5-dicarboxylic acid molecular structure lightbox
CAS RN: 175202-55-8

3,4-Dimethylthieno(2,3-b)thiophene-2,5-dicarboxylic acid

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260606 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251101 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260623 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: LIND887235
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175202-55-8 / 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid

Standard CAS: 175202-55-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175202-55-8
Multi CAS
No
Molecular Formula
C10H8O4S2
Molecular Weight
256.300000
Exact Mass
255.986401
SMILES
CC1=C(SC2=C1C(=C(S2)C(=O)O)C)C(=O)O
InChI
InChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
InChIKey
JARLNIWLMPUVAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
8
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.09
TPSA
74.6

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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