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CAS 4949-85-3 2,5-DICHLOROPHENYLTHIOUREA molecular structure lightbox
CAS RN: 4949-85-3

2,5-DICHLOROPHENYLTHIOUREA

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 1g In stock Inquiry
Batchno.20251206 25g In stock Inquiry
Batchno.20260108 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260519 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250104 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250517 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS4949-85-3
  • Purity/Analytical Methods: >99.0%
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4949-85-3 / (2,5-dichlorophenyl)thiourea

Standard CAS: 4949-85-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4949-85-3
Multi CAS
No
Molecular Formula
C7H6CL2N2S
Molecular Weight
221.110000
Exact Mass
219.962875
InChI
InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
UQCOANNCPUOZNW-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
2.2
Consensus LogP
2.39
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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