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CAS 20938-74-3 N-(METHYL)MERCAPTOACETAMIDE molecular structure lightbox
CAS RN: 20938-74-3

N-(METHYL)MERCAPTOACETAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Hebei Inquiry
  • Product code: starshine_CAS20938-74-3
  • Purity/Analytical Methods: >99.0%
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20938-74-3 / N-methylsulfanylacetamide

Standard CAS: 20938-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20938-74-3
Multi CAS
No
Molecular Formula
C3H7NOS
Molecular Weight
105.160000
Exact Mass
105.024835
SMILES
CC(=O)NSC
InChI
InChI=1S/C3H7NOS/c1-3(5)4-6-2/h1-2H3,(H,4,5)
InChIKey
GGQQANJFYSLXPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.33
TPSA
29.1

LogP / Solubility

WLOGP
0.4
MLOGP
0.34
Consensus LogP
0.25
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.08

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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