CAS RN: 97986-06-6
3-(tert-Butyl)phenyl carbonochloridothioate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS97986-06-6
- Purity/Analytical Methods: >99.0%
97986-06-6 / O-(3-tert-butylphenyl) chloromethanethioate
Basic Information
CAS
97986-06-6
Multi CAS
Yes
Molecular Formula
C11H13CLOS
Molecular Weight
228.740000
Exact Mass
228.037564
InChI
InChI=1S/C11H13ClOS/c1-11(2,3)8-5-4-6-9(7-8)13-10(12)14/h4-7H,1-3H3
InChIKey
RVFDGINAGFKENO-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
64.22
TPSA
9.23
LogP / Solubility
WLOGP
3.89
MLOGP
3.42
XLogP3
4.8
Consensus LogP
4.04
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
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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4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE-3-CARBALDEHYDE
- CAS RN: 97989-41-8
- Product Code: starshine_CAS97989-41-8
- Purity/Analytical method: >99.0%
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![CAS 97989-41-8 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE-3-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1381762.gif)
