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CAS 5718-75-2 (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane molecular structure lightbox
CAS RN: 5718-75-2

(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 1g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTT2578
  • Purity/Analytical Methods: >94.0%(GC)
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5718-75-2 / 4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane

Standard CAS: 5718-75-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5718-75-2
Multi CAS
Yes
Molecular Formula
C10H18S
Molecular Weight
170.320000
Exact Mass
170.112922
InChI
InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey
FAXNZPOZWCWYBD-UHFFFAOYSA-N

Physical Properties

Density
0.997-1.001
Physical Description
Colourless to pale yellow clear liquid; Earthy, citrus aroma with menthol-like undertones
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
51.96
TPSA
25.3000

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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