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CAS 52560-89-1 5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide molecular structure lightbox
CAS RN: 52560-89-1

5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide

  • Product code: SSC-159683
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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: 5g
  • Available purity: ≥95%
  • 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 52560-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

52560-89-1 / 5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide

Standard CAS: 52560-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52560-89-1
Multi CAS
Yes
Molecular Formula
C8H6N2OS3
Molecular Weight
242.300000
Exact Mass
241.964226
InChI
InChI=1S/C8H6N2OS3/c9-7(11)6-2-1-5(14-6)4-3-13-8(12)10-4/h1-3H,(H2,9,11)(H,10,12)
InChIKey
AMSLEHALZQXAOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.33
TPSA
58.88

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
1.4
Consensus LogP
2.12
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.33

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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