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CAS 10442-03-2 4-Propargylthiomorpholine 1,1-Dioxide molecular structure lightbox
CAS RN: 10442-03-2

4-Propargylthiomorpholine 1,1-Dioxide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250807 25g In stock Shanghai Inquiry
Batchno.20251227 5g In stock Shanghai Inquiry
  • Product code: SSC-006176
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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: ≥98%
  • 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 10442-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

10442-03-2 / 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide

DTXSID70380442 | 4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione | RefChem:289361

Standard CAS: 10442-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10442-03-2
Multi CAS
No
Molecular Formula
C7H11NO2S
Molecular Weight
173.240000
Exact Mass
173.051050
SMILES
C#CCN1CCS(=O)(=O)CC1
InChI
InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
InChIKey
CZBZIZOYSYHBNM-UHFFFAOYSA-N
Synonyms
DTXSID70380442 4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione RefChem:289361 DTXCID60331468 4-Propargylthiomorpholine 1,1-Dioxide

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.93
TPSA
37.38

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.58
XLogP3
-0.5
Consensus LogP
-0.58
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-4.24

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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