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CAS 29820-13-1 calcium sulphidoacetate molecular structure lightbox
CAS RN: 29820-13-1

calcium sulphidoacetate

  • Product code: SSC-133016
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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: 100g
  • 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 29820-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

29820-13-1 / calcium 2-sulfidoacetate

Standard CAS: 29820-13-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
29820-13-1
Multi CAS
Yes
Molecular Formula
C2H2CAO2S
Molecular Weight
130.180000
Exact Mass
129.940141
InChI
InChI=1S/C2H4O2S.Ca/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+2/p-2
InChIKey
QVCFQEFEMBCIOI-UHFFFAOYSA-L

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
22.99
TPSA
40.13

LogP / Solubility

WLOGP
-2.1
MLOGP
-1.85
XLogP3
-2.1
Consensus LogP
-2.02
Log S (ESOL)
0.74
Class (ESOL)
Highly soluble
Log S (Ali)
0.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.11
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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