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CAS 51389-04-9 1H-Benzimidazole,2-(2-propenylthio)-(9CI) molecular structure lightbox
CAS RN: 51389-04-9

1H-Benzimidazole,2-(2-propenylthio)-(9CI)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS51389-04-9
  • Purity/Analytical Methods: >99.0%
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51389-04-9 / 2-prop-2-enylsulfanyl-1H-benzimidazole

Standard CAS: 51389-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51389-04-9
Multi CAS
Yes
Molecular Formula
C10H10N2S
Molecular Weight
190.270000
Exact Mass
190.056470
InChI
InChI=1S/C10H10N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h2-6H,1,7H2,(H,11,12)
InChIKey
JHJHDEZWUNCTQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.01
TPSA
28.68

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

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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