![CAS 77644-45-2 4-[2-(4-MORPHOLINO)ETHYL]-3-THIOSEMICARBAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77644-45-2.gif)
CAS RN: 77644-45-2
4-[2-(4-MORPHOLINO)ETHYL]-3-THIOSEMICARBAZIDE
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.20260518 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS77644-45-2
- Purity/Analytical Methods: >99.0%
77644-45-2 / 1-amino-3-(2-morpholin-4-ylethyl)thiourea
Basic Information
CAS
77644-45-2
Multi CAS
Yes
Molecular Formula
C7H16N4OS
Molecular Weight
204.300000
Exact Mass
204.104482
InChI
InChI=1S/C7H16N4OS/c8-10-7(13)9-1-2-11-3-5-12-6-4-11/h1-6,8H2,(H2,9,10,13)
InChIKey
OBGPRENQQPWJOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.18
TPSA
62.55
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.18
XLogP3
-1.1
Consensus LogP
-1.21
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.92
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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![CAS 77651-49-1 5,6,7,8-Tetrahydro-1H-[1]benzothieno[2,3-c][1,2,6]thiadiazin-4(3H)-one-2-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77651-49-1.gif)
