-
Name
xanthogenamide
- EINECS
- CAS No. 625-57-0
- Article Data42
- CAS DataBase
- Density 1.129 g/cm3
- Solubility
- Melting Point 41°C
- Formula C3H7NOS
- Boiling Point 136.2 °C at 760 mmHg
- Molecular Weight 105.161
- Flash Point 36.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-03-00-00294 (Beilstein Handbook Reference);ethoxymethanethioamide;Carbamic acid, thio-, O-ethyl ester;Ethyl thionocarbamate;Carbamothioic acid, O-ethyl ester;Ethyl thionurethane;Carbamothioic acid, O-ethyl ester (9CI);Ethyl oxythiocarbamate;Ethoxythiocarbonylglycine;
- PSA 67.34000
- LogP 0.96680
O-Ethyl thiocarbamate Specification
This chemical is called O-Ethyl thiocarbamate, and it can also be named as Carbamic acid, thio-, O-ethyl ester. With the molecular formula of C3H7NOS, its CAS registry number is 625-57-0.
Other characteristics of the O-Ethyl thiocarbamate can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.78; (8)ACD/KOC (pH 7.4): 45.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.56 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 28.51 cm3; (15)Molar Volume: 93 cm3; (16)Polarizability: 11.3×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 36.2 °C; (20)Enthalpy of Vaporization: 37.36 kJ/mol; (21)Boiling Point: 136.2 °C at 760 mmHg; (22)Vapour Pressure: 7.46 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(OCC)N
2.InChI: InChI=1/C3H7NOS/c1-2-5-3(4)6/h2H2,1H3,(H2,4,6)
3.InChIKey: PWZUZQNZVZKCBI-UHFFFAOYAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 145, 1940. |
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