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CAS 1123-55-3 7-Benzothiazolamine (9CI) molecular structure lightbox
CAS RN: 1123-55-3

7-Benzothiazolamine (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012750
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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 1123-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1123-55-3 / 1,3-benzothiazol-7-amine

1,3-benzothiazol-7-amine | DTXSID30499827 | RefChem:217973

Standard CAS: 1123-55-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1123-55-3
Multi CAS
Yes
Molecular Formula
C7H6N2S
Molecular Weight
150.200000
Exact Mass
150.025169
SMILES
C1=CC(=C2C(=C1)N=CS2)N
InChI
InChI=1S/C7H6N2S/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2
InChIKey
ZWUIKHROIQRWGT-UHFFFAOYSA-N
Synonyms
1,3-benzothiazol-7-amine DTXSID30499827 RefChem:217973 DTXCID50450637 benzo[d]thiazol-7-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.03
TPSA
38.91

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.3

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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