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CAS 22072-19-1 TETRAHYDROTHIOPYRAN-3-OL, 95 molecular structure lightbox
CAS RN: 22072-19-1

TETRAHYDROTHIOPYRAN-3-OL, 95

  • Product code: SSC-106200
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22072-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

22072-19-1 / thian-3-ol

Standard CAS: 22072-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22072-19-1
Multi CAS
No
Molecular Formula
C5H10OS
Molecular Weight
118.200000
Exact Mass
118.045236
SMILES
C1CC(CSC1)O
InChI
InChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2
InChIKey
ZHHOMIAGFRSWCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.57
TPSA
20.23

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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