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CAS 6590-91-6 2,6-DICHLOROPHENYLTHIOUREA molecular structure lightbox
CAS RN: 6590-91-6

2,6-DICHLOROPHENYLTHIOUREA

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260404 1g In stock Inquiry
Batchno.20250504 25g In stock Inquiry
Batchno.20251026 5g In stock Inquiry
  • Product code: SSC-175523
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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: ＞95%
  • 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 6590-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

6590-91-6 / (2,6-dichlorophenyl)thiourea

Standard CAS: 6590-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6590-91-6
Multi CAS
No
Molecular Formula
C7H6CL2N2S
Molecular Weight
221.110000
Exact Mass
219.962875
InChI
InChI=1S/C7H6Cl2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
KUQHRGMPBWZVQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.87
TPSA
38.05

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
1.3
Consensus LogP
2.09
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.19

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
1.5

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