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CAS 71242-59-6 (1S)-(-)-10-Mercaptoborneol molecular structure lightbox
CAS RN: 71242-59-6

(1S)-(-)-10-Mercaptoborneol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 10mg In stock Shandong, Chongqing Inquiry
  • Product code: ICTM1341
  • Purity/Analytical Methods: >97.0%(GC)
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71242-59-6 / (1S,2S,4R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol

Standard CAS: 71242-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71242-59-6
Multi CAS
Yes
Molecular Formula
C10H18OS
Molecular Weight
186.320000
Exact Mass
186.107836
InChI
InChI=1S/C10H18OS/c1-9(2)7-3-4-10(9,6-12)8(11)5-7/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChIKey
PYQMNINTTPIRIT-KHQFGBGNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.41
TPSA
20.23

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.36

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
5

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