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CAS 172152-53-3 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole molecular structure lightbox
CAS RN: 172152-53-3

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-075711
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 172152-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

172152-53-3 / 5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione

Standard CAS: 172152-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172152-53-3
Multi CAS
No
Molecular Formula
C11H9N3S
Molecular Weight
215.280000
Exact Mass
215.051718
SMILES
C1=CN(C=C1)C2=CC3=C(C=C2)NC(=S)N3
InChI
InChI=1S/C11H9N3S/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15)
InChIKey
YYXGYVYKGRUILQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.81
TPSA
36.51

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
1.6
Consensus LogP
2.43
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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