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CAS 1158794-11-6 1-(1,3-benzothiazol-2-yl)ethanamine hydrochloride molecular structure lightbox
CAS RN: 1158794-11-6

1-(1,3-benzothiazol-2-yl)ethanamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-015686
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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 1158794-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1158794-11-6 / 1-(1,3-benzothiazol-2-yl)ethanamine;hydrochloride

1-(1,3-benzothiazol-2-yl)ethanamine hydrochloride | 1-(Benzo[d]thiazol-2-yl)ethanamine hydrochloride | 1-BENZOTHIAZOL-2-YL-ETHYLAMINE HYDROCHLORIDE

Standard CAS: 1158794-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1158794-11-6
Multi CAS
No
Molecular Formula
C9H11ClN2S
Molecular Weight
214.720000
Exact Mass
214.033147
SMILES
CC(C1=NC2=CC=CC=C2S1)N.Cl
InChI
InChI=1S/C9H10N2S.ClH/c1-6(10)9-11-7-4-2-3-5-8(7)12-9;/h2-6H,10H2,1H3;1H
InChIKey
VQFNLUOAQQCKBK-UHFFFAOYSA-N
Synonyms
1-(1,3-benzothiazol-2-yl)ethanamine hydrochloride 1-(Benzo[d]thiazol-2-yl)ethanamine hydrochloride 1-BENZOTHIAZOL-2-YL-ETHYLAMINE HYDROCHLORIDE MFCD09759199 1-(1,3-benzothiazol-2-yl)ethan-1-amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.47
TPSA
38.91

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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