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CAS 68128-94-9 Formyltetrathiafulvalene molecular structure lightbox
CAS RN: 68128-94-9

Formyltetrathiafulvalene

  • Product code: SSC-177853
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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: ≥98%
  • 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 68128-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

68128-94-9 / 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde

Standard CAS: 68128-94-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68128-94-9
Multi CAS
No
Molecular Formula
C7H4OS4
Molecular Weight
232.400000
Exact Mass
231.914499
InChI
InChI=1S/C7H4OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-4H
InChIKey
NDJHQJARYXJFDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
60.68
TPSA
17.07

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
2.2
Consensus LogP
2.98
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

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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