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CAS 439578-83-3 N-(6-BroMo-2-pyridyl)thiourea molecular structure lightbox
CAS RN: 439578-83-3

N-(6-BroMo-2-pyridyl)thiourea

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251226 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS439578-83-3
  • Purity/Analytical Methods: >99.0%
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439578-83-3 / (6-bromo-2-pyridinyl)thiourea

Standard CAS: 439578-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
439578-83-3
Multi CAS
No
Molecular Formula
BC6H6Rn3S
Molecular Weight
232.100000
Exact Mass
230.946580
InChI
InChI=1S/C6H6BrN3S/c7-4-2-1-3-5(9-4)10-6(8)11/h1-3H,(H3,8,9,10,11)
InChIKey
QAIACEDQLCMXOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.35
TPSA
50.94

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.07

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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