CAS RN: 1910-68-5
N-METHYLISATIN-3-THIOSEMICARBAZONE
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.20260420 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1910-68-5
- Purity/Analytical Methods: >99.0%
1910-68-5 / (2-hydroxy-1-methylindol-3-yl)iminothiourea
Basic Information
CAS
1910-68-5
Multi CAS
No
Molecular Formula
C10H10N4OS
Molecular Weight
234.280000
Exact Mass
234.057532
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N
InChI
InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)
InChIKey
TTZUCVNWOZLIGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.89
TPSA
75.9
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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