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CAS 871673-30-2 1-(5-AMINO-3-METHYLISOTHIAZOL-4-YL)ETHANONE molecular structure lightbox
CAS RN: 871673-30-2

1-(5-AMINO-3-METHYLISOTHIAZOL-4-YL)ETHANONE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250518 10g Out of stock Inquiry
Batchno.20250113 1g Out of stock Inquiry
Batchno.20250627 5g Out of stock Inquiry
  • Product code: starshine_CAS871673-30-2
  • Purity/Analytical Methods: >99.0%
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871673-30-2 / 1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethanone

Standard CAS: 871673-30-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871673-30-2
Multi CAS
Yes
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
InChI
InChI=1S/C6H8N2OS/c1-3-5(4(2)9)6(7)10-8-3/h7H2,1-2H3
InChIKey
ZRTVPUDCMVBHEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.27
TPSA
55.98

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.8

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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