[email protected]
CAS 29431-37-6 Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide molecular structure lightbox
CAS RN: 29431-37-6

Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide

  • Product code: SSC-132296
GET A QUOTE
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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 29431-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

29431-37-6 / 1,1-dioxothian-3-one

Standard CAS: 29431-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29431-37-6
Multi CAS
Yes
Molecular Formula
C5H8O3S
Molecular Weight
148.180000
Exact Mass
148.019415
InChI
InChI=1S/C5H8O3S/c6-5-2-1-3-9(7,8)4-5/h1-4H2
InChIKey
UCVLBKIDCLECCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
3
Molar refractivity
32.89
TPSA
51.21

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
-0.5
Consensus LogP
-0.32
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-3.79

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us