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CAS 3490-92-4 METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE molecular structure lightbox
CAS RN: 3490-92-4

METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE

  • Product code: SSC-141595
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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: 5g
  • 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 3490-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3490-92-4 / methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate

Standard CAS: 3490-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3490-92-4
Multi CAS
No
Molecular Formula
C7H9NO2S2
Molecular Weight
203.300000
Exact Mass
203.007471
InChI
InChI=1S/C7H9NO2S2/c1-10-6(9)5(4-8)7(11-2)12-3/h1-3H3
InChIKey
SJDBEROAEMAOJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
51.69
TPSA
50.09

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.81

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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