CAS RN: 83508-61-6
N-(3-CHLOROPHENYL)-N-METHYL-THIOCARBAMOYL CHLORIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS83508-61-6
- Purity/Analytical Methods: >99.0%
83508-61-6 / N-(3-chlorophenyl)-N-methylcarbamothioyl chloride
Basic Information
CAS
83508-61-6
Multi CAS
No
Molecular Formula
C8H7CL2NS
Molecular Weight
220.120000
Exact Mass
218.967626
InChI
InChI=1S/C8H7Cl2NS/c1-11(8(10)12)7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKey
JUHCGHAWGWGFIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.31
TPSA
3.24
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.6
Consensus LogP
3.27
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.72
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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- CAS RN: 83528-59-0
- Product Code: starshine_CAS83528-59-0
- Purity/Analytical method: >99.0%
