CAS RN: 15482-60-7
N,N-Dimethylbenzenecarbothioamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15482-60-7
- Purity/Analytical Methods: >99.0%
15482-60-7 / N,N-dimethylbenzenecarbothioamide
Basic Information
CAS
15482-60-7
Multi CAS
No
Molecular Formula
C9H11NS
Molecular Weight
165.260000
Exact Mass
165.061221
SMILES
CN(C)C(=S)C1=CC=CC=C1
InChI
InChI=1S/C9H11NS/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
OPXCUUJACRRYMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.83
TPSA
3.24
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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
1.5
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