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CAS 64394-47-4 Bis(carbonyldithio)tetrathiafulvalene molecular structure lightbox
CAS RN: 64394-47-4

Bis(carbonyldithio)tetrathiafulvalene

  • Product code: SSC-174159
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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 64394-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

64394-47-4 / 2-(5-oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one

Standard CAS: 64394-47-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64394-47-4
Multi CAS
Yes
Molecular Formula
C8O2S8
Molecular Weight
384.600000
Exact Mass
383.766399
InChI
InChI=1S/C8O2S8/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5
InChIKey
JVSSQMMIVZRMMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
H-bond acceptors
10
Molar refractivity
87.39
TPSA
34.14

LogP / Solubility

WLOGP
4.88
MLOGP
4.31
XLogP3
5.1
Consensus LogP
4.76
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

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

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