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CAS 94158-05-1 tetrahydro-2H-thiopyran-3-ol 1,1-dioxide molecular structure lightbox
CAS RN: 94158-05-1

tetrahydro-2H-thiopyran-3-ol 1,1-dioxide

  • Product code: SSC-208711
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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
  • Available purity: >95%
  • 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 94158-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

94158-05-1 / 1,1-dioxothian-3-ol

Standard CAS: 94158-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94158-05-1
Multi CAS
No
Molecular Formula
C5H10O3S
Molecular Weight
150.200000
Exact Mass
150.035065
InChI
InChI=1S/C5H10O3S/c6-5-2-1-3-9(7,8)4-5/h5-6H,1-4H2
InChIKey
FOAYCGLGUDLVFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.89
TPSA
54.37

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.4
XLogP3
-0.5
Consensus LogP
-0.45
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.95

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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