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CAS 6784-03-8 4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene molecular structure lightbox
CAS RN: 6784-03-8

4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene

  • Product code: SSC-177595
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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 6784-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6784-03-8 / 4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene

Standard CAS: 6784-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6784-03-8
Multi CAS
Yes
Molecular Formula
C10H16S
Molecular Weight
168.300000
Exact Mass
168.097272
InChI
InChI=1S/C10H16S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey
ODZMYNHWVMNAFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
51.94
TPSA
25.3000

LogP / Solubility

WLOGP
3.24
MLOGP
2.84
XLogP3
2.5
Consensus LogP
2.86
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.45

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
4.5

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