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CAS 532-55-8 Benzoyl Isothiocyanate molecular structure lightbox
CAS RN: 532-55-8

Benzoyl Isothiocyanate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 100g Out of stock 1 business days Inquiry
Batchno.20250927 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250225 500g In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-160404
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 532-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry

532-55-8 / benzoyl isothiocyanate

Standard CAS: 532-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
532-55-8
Multi CAS
Yes
Molecular Formula
C8H5NOS
Molecular Weight
163.200000
Exact Mass
163.009185
InChI
InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey
CPEKAXYCDKETEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.8
TPSA
29.43

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
3.2
Consensus LogP
2.27
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.35

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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