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CAS 58379-80-9 1-METHYL-1-TOSYLMETHYL ISOCYANIDE molecular structure lightbox
CAS RN: 58379-80-9

1-METHYL-1-TOSYLMETHYL ISOCYANIDE

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 1g In stock Inquiry
Batchno.20251221 250mg In stock Inquiry
Batchno.20250531 25g Out of stock Inquiry
Batchno.20260131 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-166615
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58379-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

58379-80-9 / 1-(1-isocyanoethylsulfonyl)-4-methylbenzene

Standard CAS: 58379-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58379-80-9
Multi CAS
Yes
Molecular Formula
C10H11NO2S
Molecular Weight
209.270000
Exact Mass
209.051050
InChI
InChI=1S/C10H11NO2S/c1-8-4-6-10(7-5-8)14(12,13)9(2)11-3/h4-7,9H,1-2H3
InChIKey
NGOUPILQFWOEET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.43
TPSA
38.5

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.55

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
2

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