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CAS 1209458-45-6 4-BroMo-6-(Methylthio)pyriMidine molecular structure lightbox
CAS RN: 1209458-45-6

4-BroMo-6-(Methylthio)pyriMidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1209458-45-6
  • Purity/Analytical Methods: >99.0%
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1209458-45-6 / 4-bromo-6-methylsulfanylpyrimidine

4-Bromo-6-(methylthio)pyrimidine | 4-bromo-6-methylsulfanylpyrimidine | MFCD14702766

Standard CAS: 1209458-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209458-45-6
Multi CAS
No
Molecular Formula
C5H5BrN2S
Molecular Weight
205.080000
Exact Mass
203.935680
SMILES
CSC1=CC(=NC=N1)Br
InChI
InChI=1S/C5H5BrN2S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKey
GJXVKIMKTGWGSP-UHFFFAOYSA-N
Synonyms
4-Bromo-6-(methylthio)pyrimidine 4-bromo-6-methylsulfanylpyrimidine MFCD14702766 4-BROMO-6-(METHYLSULFANYL)PYRIMIDINE 4-bromo-6-methylsulfanyl-pyrimidine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.51
TPSA
25.78

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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