-
Name
S-[(2Z)-2-amino-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylimino)ethyl] hydrogen sulfurothioate hydrate (4:1)
- EINECS
- CAS No. 63869-14-7
- Density g/cm3
- Solubility
- Melting Point
- Formula C12H20N2O3S2•1/4H2O
- Boiling Point °Cat760mmHg
- Molecular Weight 288.76
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. See also THIOSULFATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1) Chemical Properties
IUPAC Name: 1-[(1-Amino-2-sulfosulfanylethylidene)amino]adamantane hydrate
Synonyms of S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1) (CAS NO.63869-14-7): Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate ; Thiosulfuric acid (H2S2O3), S-(2-imino-2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl) ester, hydrate (4:1)
InChI: InChI=1/4C12H20N2O3S2.H2O/c4*13-11(7-18-19(15,16)17)14-12-4-8-1-9(5-12)3-10(2-8)6-12;/h4*8-10H,1-7H2,(H2,13,14)(H,15,16,17);1H2
CAS NO: 63869-14-7
Molecular Formula: C48H82N8O13S8
Molecular Weight : 1235.7305
Molecular Structure: .png)
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 92.65 Å2
S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1) Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 38mg/kg (38mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972. | |
| mouse | LD50 | oral | 280mg/kg (280mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972. |
S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1) Safety Profile
Poison by ingestion and intraperitoneal routes. See also THIOSULFATES. When S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1) (CAS NO.63869-14-7) is heated to decomposition, it emits very toxic fumes of NOx and SOx.
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