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CAS 2284-20-0 4-Methoxyphenyl Isothiocyanate molecular structure lightbox
CAS RN: 2284-20-0

4-Methoxyphenyl Isothiocyanate

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100g In stock Shandong, Chongqing Inquiry
Batchno.20260131 1g In stock Shanghai Inquiry
Batchno.20260402 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250629 500g In stock Shandong Inquiry
Batchno.20260311 5g In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100g In stock Shanghai Inquiry
Batchno.20260319 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250615 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250318 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-111183
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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, 5g, 10g, 25g
  • 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 2284-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

2284-20-0 / 1-isothiocyanato-4-methoxybenzene

Standard CAS: 2284-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2284-20-0
Multi CAS
No
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
SMILES
COC1=CC=C(C=C1)N=C=S
InChI
InChI=1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3
InChIKey
VRPQCVLBOZOYCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.68
TPSA
21.59

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
3.6
Consensus LogP
2.72
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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

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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