CAS RN: 19692-07-0
hydrazinecarbothioic acid O-methyl ester
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.20251008 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS19692-07-0
- Purity/Analytical Methods: >99.0%
19692-07-0 / O-methyl N-aminocarbamothioate
Basic Information
CAS
19692-07-0
Multi CAS
No
Molecular Formula
C2H6N2OS
Molecular Weight
106.150000
Exact Mass
106.020084
SMILES
COC(=S)NN
InChI
InChI=1S/C2H6N2OS/c1-5-2(6)4-3/h3H2,1H3,(H,4,6)
InChIKey
LNWHCOPMPXKPNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
26.93
TPSA
47.28
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.56
XLogP3
-0.2
Consensus LogP
-0.46
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.81
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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