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| CAS No.: | 40283-91-8 |
|---|---|
| Name: | Thiosulfuric acid hydrogen S-[2-imino-2-[[2-(phenylmethoxy)ethyl]amino]ethyl] ester |
| Molecular Structure: | |
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| Formula: | C11H16N2O4S2 |
| Molecular Weight: | 304.41 |
| Synonyms: | 17-Deoxymethansone;Deoxymethasone;Stiedex;17-Desoxymethasone;Topicort;Ibaril;17-Desoximethasone; |
| Density: | 1.37g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of SOx and NOx. |
| PSA: | 74.60000 |
| LogP: | 2.78080 |
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Chemistry
Molecule structure of S-((N-(2-Benzyloxyethyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-91-8):
IUPAC Name: 2-[(1-Amino-2-sulfosulfanylethylidene)amino]ethoxymethylbenzene
Molecular Weight: 304.38574 g/mol
Molecular Formula: C11H16N2O4S2
Density: 1.37 g/cm3
Index of Refraction: 1.597
Molar Refractivity: 75.46 cm3
Molar Volume: 221.3 cm3
Polarizability: 29.91×10-24 cm3
Surface Tension: 56.4 dyne/cm
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 304.055148
MonoIsotopic Mass: 304.055148
Topological Polar Surface Area: 102
Heavy Atom Count: 19
Complexity: 373
Canonical SMILES: C1=CC=C(C=C1)COCCN=C(CSS(=O)(=O)O)N
InChI: InChI=1S/C11H16N2O4S2/c12-11(9-18-19(14,15)16)13-6-7-17-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,13)(H,14,15,16)
InChIKey: ADBOAGBBFIEYBZ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:90 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),1313. | ||
| 2. | ipr-mus LD50:60 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),1313. |
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Specification
S-((N-(2-Benzyloxyethyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-91-8) is also named as Methanethiol, N-(2-benzyloxyethyl)amidino-, hydrogen sulfate (ester) . S-((N-(2-Benzyloxyethyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-91-8) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and sulfur oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep S-((N-(2-Benzyloxyethyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-91-8) separate from raw materials of food.