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CAS 81779-11-5 6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 81779-11-5

6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-190112
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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 81779-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

81779-11-5 / 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Standard CAS: 81779-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81779-11-5
Multi CAS
No
Molecular Formula
C11H18N2S
Molecular Weight
210.340000
Exact Mass
210.119070
InChI
InChI=1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKey
QXRJJJPFOHTPIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.5
TPSA
38.91

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
3.3
Consensus LogP
2.9
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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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