Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
14527-26-5 / methyl carbamimidothioate;sulfuric acid
Basic Information
CAS
14527-26-5
Multi CAS
No
Molecular Formula
C2H8N2O4S2
Molecular Weight
188.230000
Exact Mass
187.992549
SMILES
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
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
39.61
TPSA
124.47
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.41
Consensus LogP
-0.39
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-4.16
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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2-HYDROXY-5-NITROPHENYL SULFATE DIPOTASSIUM SALT
- CAS RN: 14528-64-4
- Product Code: SSC-056617
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