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CAS 21009-57-4 morpholine-3-thione molecular structure lightbox
CAS RN: 21009-57-4

morpholine-3-thione

  • Product code: SSC-099895
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 21009-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Beijing Inquiry

21009-57-4 / morpholine-3-thione

Standard CAS: 21009-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21009-57-4
Multi CAS
No
Molecular Formula
C4H7NOS
Molecular Weight
117.170000
Exact Mass
117.024835
SMILES
C1COCC(=S)N1
InChI
InChI=1S/C4H7NOS/c7-4-3-6-2-1-5-4/h1-3H2,(H,5,7)
InChIKey
LTAFRIZVOKDEMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.42
TPSA
21.26

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-3.48

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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