CAS RN: 5848-24-8
N-Cyano-N’,S-dimethylisothiourea
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.20250809 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTC1122
- Purity/Analytical Methods: >98.0%(N)
5848-24-8 / methyl N-cyano-N'-methylcarbamimidothioate
Basic Information
CAS
5848-24-8
Multi CAS
Yes
Molecular Formula
C4H7N3S
Molecular Weight
129.190000
Exact Mass
129.036068
InChI
InChI=1S/C4H7N3S/c1-6-4(8-2)7-3-5/h1-2H3,(H,6,7)
InChIKey
MHGGQXIPBPGZFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.62
TPSA
48.18
LogP / Solubility
WLOGP
0.41
MLOGP
0.35
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
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)
-3.22
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
