[email protected]
CAS 68881-66-3 azepane-1-carbothioamide molecular structure lightbox
CAS RN: 68881-66-3

azepane-1-carbothioamide

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250630 1g In stock Inquiry
Batchno.20260121 250mg Out of stock Inquiry
Batchno.20260420 5g In stock Inquiry
  • Product code: starshine_CAS68881-66-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68881-66-3 / azepane-1-carbothioamide

Standard CAS: 68881-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68881-66-3
Multi CAS
No
Molecular Formula
C7H14N2S
Molecular Weight
158.270000
Exact Mass
158.087770
InChI
InChI=1S/C7H14N2S/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10)
InChIKey
QSQNPWDEVCHJJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.83
TPSA
29.26

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.9

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

Customers Also Viewed

Get In Touch

Contact Us