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CAS 58259-03-3 2,2′-Bithiophene]-5,5′-dithiol molecular structure lightbox
CAS RN: 58259-03-3

2,2′-Bithiophene]-5,5′-dithiol

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS58259-03-3
  • Purity/Analytical Methods: >99.0%
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58259-03-3 / 5-(5-sulfanylthiophen-2-yl)thiophene-2-thiol

Standard CAS: 58259-03-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58259-03-3
Multi CAS
Yes
Molecular Formula
C8H6S4
Molecular Weight
230.400000
Exact Mass
229.935235
InChI
InChI=1S/C8H6S4/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4,9-10H
InChIKey
KXJOYLBITYGKEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.14
TPSA
58.5000

LogP / Solubility

WLOGP
4.05
MLOGP
3.57
XLogP3
3.9
Consensus LogP
3.84
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.25

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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