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CAS 4785-67-5 TETRAHYDROTHIOPHENE-3-CARBOXYLIC ACID 1,1-DIOXIDE molecular structure lightbox
CAS RN: 4785-67-5

TETRAHYDROTHIOPHENE-3-CARBOXYLIC ACID 1,1-DIOXIDE

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260615 100mg Out of stock Inquiry
Batchno.20250315 1g Out of stock Inquiry
Batchno.20250319 250mg Out of stock Inquiry
Batchno.20250201 50mg Out of stock Inquiry
  • Product code: SSC-154807
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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: 5g
  • 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 4785-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

4785-67-5 / 1,1-dioxothiolane-3-carboxylic acid

Standard CAS: 4785-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4785-67-5
Multi CAS
No
Molecular Formula
C5H8O4S
Molecular Weight
164.180000
Exact Mass
164.014330
InChI
InChI=1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)
InChIKey
ASRQWTBGINUTIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.4
TPSA
71.44

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.7
Consensus LogP
-0.54
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-4.07

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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