CAS RN: 2260-00-6
S-Methylisothiourea sulfate
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.20251224 | 25g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2260-00-6
- Purity/Analytical Methods: >99.0%
2260-00-6 / methyl carbamimidothioate;sulfuric acid
Basic Information
CAS
2260-00-6
Multi CAS
No
Molecular Formula
C4H14N4O4S3
Molecular Weight
278.400000
Exact Mass
278.017718
SMILES
CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
InChI
InChI=1S/C2H6N2S.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey
NNBBQNFHCVVQHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
65.04
TPSA
174.34
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.14
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 22601-02-1
- Product Code: starshine_CAS22601-02-1
- Purity/Analytical method: >99.0%
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