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CAS 32358-88-6 4-Bromotetrahydro-2H-thiopyran molecular structure lightbox
CAS RN: 32358-88-6

4-Bromotetrahydro-2H-thiopyran

  • Product code: SSC-137918
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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
  • Available purity: ≥95%
  • 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 32358-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

32358-88-6 / 4-bromothiane

Standard CAS: 32358-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32358-88-6
Multi CAS
No
Molecular Formula
C5H9BRS
Molecular Weight
181.100000
Exact Mass
179.960830
InChI
InChI=1S/C5H9BrS/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
XYXKPHDVGJYKRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
39.27
TPSA
25.3000

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.21

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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