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CAS 64038-58-0 1-cyclohexyl-2-mercaptoimidazole molecular structure lightbox
CAS RN: 64038-58-0

1-cyclohexyl-2-mercaptoimidazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64038-58-0
  • Purity/Analytical Methods: >99.0%
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64038-58-0 / 3-cyclohexyl-1H-imidazole-2-thione

Standard CAS: 64038-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64038-58-0
Multi CAS
No
Molecular Formula
C9H14N2S
Molecular Weight
182.290000
Exact Mass
182.087770
InChI
InChI=1S/C9H14N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,12)
InChIKey
OUOCKULYVNFTIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.74
TPSA
20.72

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
1.7
Consensus LogP
2.48
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-1.67

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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