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CAS 17200-23-6 Thiophene,tetrahydro-3-(1-methylethoxy)-, 1,1-dioxide molecular structure lightbox
CAS RN: 17200-23-6

Thiophene,tetrahydro-3-(1-methylethoxy)-, 1,1-dioxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17200-23-6
  • Purity/Analytical Methods: >99.0%
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17200-23-6 / 3-propan-2-yloxythiolane 1,1-dioxide

Standard CAS: 17200-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17200-23-6
Multi CAS
No
Molecular Formula
C7H14O3S
Molecular Weight
178.250000
Exact Mass
178.066365
SMILES
CC(C)OC1CCS(=O)(=O)C1
InChI
InChI=1S/C7H14O3S/c1-6(2)10-7-3-4-11(8,9)5-7/h6-7H,3-5H2,1-2H3
InChIKey
YXPMOSSOTPVGRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.28
TPSA
43.37

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.5
Consensus LogP
0.54
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.38

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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