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CAS 36635-61-7 p-Toluenesulfonylmethyl Isocyanide molecular structure lightbox
CAS RN: 36635-61-7

p-Toluenesulfonylmethyl Isocyanide

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 1g / 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-143848
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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, 10g, 25g, 100g
  • Available purity: >98%
  • 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 36635-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Shanghai Inquiry
25g >98% 0 Out of Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Shanghai Inquiry

36635-61-7 / 2-(4-methylphenyl)sulfonylacetonitrile

Standard CAS: 36635-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36635-61-7
Multi CAS
Yes
Molecular Formula
C9H9NO2S
Molecular Weight
195.240000
Exact Mass
195.035400
InChI
InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChIKey
BBNNLJMGPASZPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.84
TPSA
57.93

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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