CAS RN: 3052-61-7
Benzyl Diethyldithiocarbamate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251017 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260208 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260123 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTD2313
- Purity/Analytical Methods: >98.0%(GC)
3052-61-7 / benzyl N,N-diethylcarbamodithioate
Basic Information
CAS
3052-61-7
Multi CAS
No
Molecular Formula
C12H17NS2
Molecular Weight
239.400000
Exact Mass
239.080242
InChI
InChI=1S/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
SNBMGLUIIGFNFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
73.26
TPSA
3.24
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.66
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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