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CAS 4592-62-5 isothiazol-3-aMine molecular structure lightbox
CAS RN: 4592-62-5

isothiazol-3-aMine

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3 package records0 with current stock1 grade group
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Batchno.20250116 100mg Out of stock Inquiry
Batchno.20251224 1g Out of stock Inquiry
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  • Product code: starshine_CAS4592-62-5
  • Purity/Analytical Methods: >99.0%
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4592-62-5 / 1,2-thiazol-3-amine

Standard CAS: 4592-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4592-62-5
Multi CAS
No
Molecular Formula
C3H4N2S
Molecular Weight
100.140000
Exact Mass
100.009519
InChI
InChI=1S/C3H4N2S/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
InChIKey
IYCKMNAVTMOAKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
26.53
TPSA
38.91

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-2.82

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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