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CAS 593-75-9 METHYL ISOCYANIDE molecular structure lightbox
CAS RN: 593-75-9

METHYL ISOCYANIDE

  • Product code: SSC-167717
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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 593-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

593-75-9 / isocyanomethane

Standard CAS: 593-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
593-75-9
Multi CAS
No
Molecular Formula
C2H3N
Molecular Weight
41.050000
Exact Mass
41.026549
InChI
InChI=1S/C2H3N/c1-3-2/h1H3
InChIKey
ZRKSVHFXTRFQFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
3
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
12.53
TPSA
4.36

LogP / Solubility

WLOGP
0.54
MLOGP
0.45
Consensus LogP
0.33
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-2.59

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

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