![CAS 83490-20-4 N-[(DIMETHYLAMINO)METHYLENE]THIOUREA molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83490-20-4.gif)
CAS RN: 83490-20-4
N-[(DIMETHYLAMINO)METHYLENE]THIOUREA
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.20250411 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS83490-20-4
- Purity/Analytical Methods: >99.0%
83490-20-4 / dimethylaminomethylidenethiourea
Basic Information
CAS
83490-20-4
Multi CAS
Yes
Molecular Formula
C4H9N3S
Molecular Weight
131.200000
Exact Mass
131.051718
InChI
InChI=1S/C4H9N3S/c1-7(2)3-6-4(5)8/h3H,1-2H3,(H2,5,8)/b6-3+
InChIKey
OYLKAJRZGTZKKB-ZZXKWVIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.96
TPSA
41.62
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.17
XLogP3
-0.2
Consensus LogP
-0.18
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very 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)
-3.65
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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