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CAS 84995-63-1 o-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate molecular structure lightbox
CAS RN: 84995-63-1

o-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250131 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250514 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20250318 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS84995-63-1
  • Purity/Analytical Methods: >99.0%
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84995-63-1 / O-(5,6,7,8-tetrahydronaphthalen-2-yl) chloromethanethioate

Standard CAS: 84995-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84995-63-1
Multi CAS
No
Molecular Formula
C11H11CLOS
Molecular Weight
226.720000
Exact Mass
226.021914
InChI
InChI=1S/C11H11ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKey
QOEUMLCJUMABRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.16
TPSA
9.23

LogP / Solubility

WLOGP
3.47
MLOGP
3.05
XLogP3
4.7
Consensus LogP
3.74
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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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