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CAS 2182-73-2 2(3H)-Benzothiazolethione,6-methoxy-(9CI) molecular structure lightbox
CAS RN: 2182-73-2

2(3H)-Benzothiazolethione,6-methoxy-(9CI)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 1g In stock Shanghai Inquiry
Batchno.20251013 25g Out of stock 5-7 business days Inquiry
Batchno.20250402 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-105221
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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: 10g
  • 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 2182-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞95% 0 Out of Stock Hong Kong Inquiry

2182-73-2 / 6-methoxy-3H-1,3-benzothiazole-2-thione

Standard CAS: 2182-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2182-73-2
Multi CAS
No
Molecular Formula
C8H7NOS2
Molecular Weight
197.300000
Exact Mass
196.996906
SMILES
COC1=CC2=C(C=C1)NC(=S)S2
InChI
InChI=1S/C8H7NOS2/c1-10-5-2-3-6-7(4-5)12-8(11)9-6/h2-4H,1H3,(H,9,11)
InChIKey
WBKYNVBTKLKJBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.56
TPSA
25.02

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
2.4
Consensus LogP
2.66
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-1.82

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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