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CAS 77597-08-1 2-(Tetrahydro-pyran-2-yloxy)-ethanethiol molecular structure lightbox
CAS RN: 77597-08-1

2-(Tetrahydro-pyran-2-yloxy)-ethanethiol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-187152
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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 77597-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

77597-08-1 / 2-(oxan-2-yloxy)ethanethiol

Standard CAS: 77597-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77597-08-1
Multi CAS
No
Molecular Formula
C7H14O2S
Molecular Weight
162.250000
Exact Mass
162.071451
InChI
InChI=1S/C7H14O2S/c10-6-5-9-7-3-1-2-4-8-7/h7,10H,1-6H2
InChIKey
LXFILWUBAHXWGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.4
TPSA
18.46

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-2.67

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
2

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