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CAS 6396-76-5 (2,6-Dimethylphenyl)thiourea molecular structure lightbox
CAS RN: 6396-76-5

(2,6-Dimethylphenyl)thiourea

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250123 1g In stock Inquiry
Batchno.20250809 25g In stock Inquiry
Batchno.20260512 5g In stock Inquiry
  • Product code: SSC-173747
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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: 10g
  • Available purity: ＞97%
  • 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 6396-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

6396-76-5 / (2,6-dimethylphenyl)thiourea

Standard CAS: 6396-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6396-76-5
Multi CAS
No
Molecular Formula
C9H12N2S
Molecular Weight
180.270000
Exact Mass
180.072120
InChI
InChI=1S/C9H12N2S/c1-6-4-3-5-7(2)8(6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKey
ASNKJUONFPQYPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.32
TPSA
38.05

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.1
Consensus LogP
1.59
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.43

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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