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CAS 4785-66-4 (1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)ACETIC ACID molecular structure lightbox
CAS RN: 4785-66-4

(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)ACETIC ACID

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260528 100mg Out of stock Inquiry
Batchno.20250529 1g Out of stock Inquiry
  • Product code: SSC-154806
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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 4785-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

4785-66-4 / 2-(1,1-dioxothiolan-3-yl)acetic acid

Standard CAS: 4785-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4785-66-4
Multi CAS
Yes
Molecular Formula
C6H10O4S
Molecular Weight
178.210000
Exact Mass
178.029980
InChI
InChI=1S/C6H10O4S/c7-6(8)3-5-1-2-11(9,10)4-5/h5H,1-4H2,(H,7,8)
InChIKey
BWWAVFYRWZYKFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.01
TPSA
71.44

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.5
Consensus LogP
-0.23
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.88

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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