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CAS 85694-52-6 1,2,5-Thiadiazolidine,2-(1-methylethyl)-,1,1-dioxide(9CI) molecular structure lightbox
CAS RN: 85694-52-6

1,2,5-Thiadiazolidine,2-(1-methylethyl)-,1,1-dioxide(9CI)

  • Product code: SSC-194234
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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: 0.05g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 85694-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing 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

85694-52-6 / 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

Standard CAS: 85694-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85694-52-6
Multi CAS
No
Molecular Formula
C5H12N2O2S
Molecular Weight
164.230000
Exact Mass
164.061949
InChI
InChI=1S/C5H12N2O2S/c1-5(2)7-4-3-6-10(7,8)9/h5-6H,3-4H2,1-2H3
InChIKey
SFSRUGQYRFPBDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.76
TPSA
49.41

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.2
Consensus LogP
-0.35
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-4.04

Drug-likeness / Medicinal Chemistry

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

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