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CAS 150600-72-9 4,6-di(2-thienyl)thieno[3,4-c][1,2,5]thiadiazole molecular structure lightbox
CAS RN: 150600-72-9

4,6-di(2-thienyl)thieno[3,4-c][1,2,5]thiadiazole

  • Product code: SSC-060544
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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: 1g
  • 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 150600-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

150600-72-9 / 6,8-dithiophen-2-yl-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene

Standard CAS: 150600-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150600-72-9
Multi CAS
No
Molecular Formula
C12H6N2S4
Molecular Weight
306.500000
Exact Mass
305.941383
SMILES
C1=CSC(=C1)C2=C3C(=C(S2)C4=CC=CS4)N=S=N3
InChI
InChI=1S/C12H6N2S4/c1-3-7(15-5-1)11-9-10(14-18-13-9)12(17-11)8-4-2-6-16-8/h1-6H
InChIKey
KXASLJJPAUTMIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.49
TPSA
24.72

LogP / Solubility

WLOGP
5.93
MLOGP
5.23
XLogP3
5.4
Consensus LogP
5.52
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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