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CAS 959236-97-6 2-METHYLTHIO-4-BROMOPYRIMIDINE molecular structure lightbox
CAS RN: 959236-97-6

2-METHYLTHIO-4-BROMOPYRIMIDINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250725 1g In stock Inquiry
Batchno.20250414 250mg In stock Inquiry
Batchno.20251015 25g In stock Inquiry
Batchno.20250618 5g In stock Inquiry
  • Product code: SSC-211616
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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: 1g, 5g
  • 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 959236-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

959236-97-6 / 4-bromo-2-methylsulfanylpyrimidine

Standard CAS: 959236-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959236-97-6
Multi CAS
No
Molecular Formula
BC5H5Rn2S
Molecular Weight
205.080000
Exact Mass
203.935680
InChI
InChI=1S/C5H5BrN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
TZSQAGYDWPPKPE-UHFFFAOYSA-N

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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