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CAS 66473-10-7 5-Heptyl-1,3,4-oxadiazole-2(3H)-thione molecular structure lightbox
CAS RN: 66473-10-7

5-Heptyl-1,3,4-oxadiazole-2(3H)-thione

  • Product code: SSC-176166
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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 66473-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

66473-10-7 / 5-heptyl-3H-1,3,4-oxadiazole-2-thione

Standard CAS: 66473-10-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66473-10-7
Multi CAS
Yes
Molecular Formula
C9H16N2OS
Molecular Weight
200.300000
Exact Mass
200.098334
InChI
InChI=1S/C9H16N2OS/c1-2-3-4-5-6-7-8-10-11-9(13)12-8/h2-7H2,1H3,(H,11,13)
InChIKey
XDBMHZSJUYNNQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.15
TPSA
41.82

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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