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CAS 17823-69-7 3,3-Bis(methylthio)-2-cyanopropenamide molecular structure lightbox
CAS RN: 17823-69-7

3,3-Bis(methylthio)-2-cyanopropenamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-078603
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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: ＞97%
  • 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 17823-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

17823-69-7 / 2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide

Standard CAS: 17823-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17823-69-7
Multi CAS
No
Molecular Formula
C6H8N2OS2
Molecular Weight
188.300000
Exact Mass
188.007805
SMILES
CSC(=C(C#N)C(=O)N)SC
InChI
InChI=1S/C6H8N2OS2/c1-10-6(11-2)4(3-7)5(8)9/h1-2H3,(H2,8,9)
InChIKey
ASRISBXJSAYCHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.86
TPSA
66.88

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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