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CAS 27231-33-0 2H-Benzimidazole-2-thione,1,3-dihydro-4-methyl-(9CI) molecular structure lightbox
CAS RN: 27231-33-0

2H-Benzimidazole-2-thione,1,3-dihydro-4-methyl-(9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-126153
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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: 1g
  • 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 27231-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27231-33-0 / 4-methyl-1,3-dihydrobenzimidazole-2-thione

Standard CAS: 27231-33-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27231-33-0
Multi CAS
No
Molecular Formula
C8H8N2S
Molecular Weight
164.230000
Exact Mass
164.040819
SMILES
CC1=C2C(=CC=C1)NC(=S)N2
InChI
InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKey
UDQCDDZBBZNIFA-UHFFFAOYSA-N

Physical Properties

Physical Description
Water or Solvent Wet Solid; Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
2
Molar refractivity
48.22
TPSA
31.58

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
1.5
Consensus LogP
2.09
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-1.92

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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