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CAS 934-31-6 4,5-Dicyano-1,3-dithiol-2-one molecular structure lightbox
CAS RN: 934-31-6

4,5-Dicyano-1,3-dithiol-2-one

  • Product code: SSC-207578
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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 934-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

934-31-6 / 2-oxo-1,3-dithiole-4,5-dicarbonitrile

Standard CAS: 934-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
934-31-6
Multi CAS
No
Molecular Formula
C5N2OS2
Molecular Weight
168.200000
Exact Mass
167.945205
InChI
InChI=1S/C5N2OS2/c6-1-3-4(2-7)10-5(8)9-3
InChIKey
BPDMXHRQYNWQSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
H-bond acceptors
5
Molar refractivity
37.9
TPSA
64.65

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1.2
Consensus LogP
0.97
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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