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CAS 2290-65-5 TRIMETHYLSILYL ISOTHIOCYANATE molecular structure lightbox
CAS RN: 2290-65-5

TRIMETHYLSILYL ISOTHIOCYANATE

  • Product code: SSC-111449
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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: 25g
  • Available purity: ≥94%
  • 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 2290-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥94% 0 Out of Stock Beijing Inquiry

2290-65-5 / isothiocyanato(trimethyl)silane

Standard CAS: 2290-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2290-65-5
Multi CAS
No
Molecular Formula
C4H9NSSi
Molecular Weight
131.270000
Exact Mass
131.022497
SMILES
C[Si](C)(C)N=C=S
InChI
InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey
XLTUPERVRFLGLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.37
TPSA
12.36

LogP / Solubility

WLOGP
1.92
MLOGP
1.68
XLogP3
1.92
Consensus LogP
1.84
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.15

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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