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CAS 1945-78-4 2,2′-Methylenebisbenzothiazole molecular structure lightbox
CAS RN: 1945-78-4

2,2′-Methylenebisbenzothiazole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 100g In stock Shanghai Inquiry
Batchno.20260405 1g In stock Shanghai Inquiry
Batchno.20250914 25g In stock Shanghai Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: SSC-091778
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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: ≥97%
  • 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 1945-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1945-78-4 / 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzothiazole

Standard CAS: 1945-78-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1945-78-4
Multi CAS
No
Molecular Formula
C15H10N2S2
Molecular Weight
282.400000
Exact Mass
282.028541
SMILES
C1=CC=C2C(=C1)N=C(S2)CC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2
InChIKey
ZRXNLCFJIKBZCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
82.05
TPSA
25.78

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.8
Consensus LogP
4.42
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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