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Basic Information
CAS No.: 13275-68-8
Name: 2-(ETHYLAMINO)-1,3,4-THIADIAZOLE
Article Data: 3
Molecular Structure:
Molecular Structure of 13275-68-8 (2-(ETHYLAMINO)-1,3,4-THIADIAZOLE)
Formula: C4H7 N3 S
Molecular Weight: 129.186
Synonyms: 1,3,4-Thiadiazole,2-(ethylamino)- (6CI,7CI,8CI); 2-Ethylamino-1,3,4-thiadiazole; NSC 4730
Density: 1.268g/cm3
Melting Point: 71.5°C
Boiling Point: 253.9°Cat760mmHg
Flash Point: 107.3°C
Safety: Poison by intraperitoneal and subcutaneous routes. Experimental teratogenic effects. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 66.05000
LogP: 1.04290
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Chemistry

Molecular Structure of 2-Ethylamino-1,3,4-thiadiazole (CAS NO.13275-68-8):

IUPAC Name: N-Ethyl-1,3,4-thiadiazol-2-amine 
Molecular Formula: C4H7N3S
Molecular Weight: 129.183480 g/mol
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CCNC1=NN=CS1
InChI: InChI=1S/C4H7N3S/c1-2-5-4-7-6-3-8-4/h3H,2H2,1H3,(H,5,7)
InChIKey: PINNQKFNRKECFX-UHFFFAOYSA-N
Index of Refraction: 1.608
Molar Refractivity: 35.06 cm3
Molar Volume: 101.3 cm3
Surface Tension: 56.1 dyne/cm
Density: 1.274 g/cm3
Flash Point: 77.9 °C
Enthalpy of Vaporization: 44.14 kJ/mol
Boiling Point: 205.2 °C at 760 mmHg
Vapour Pressure: 0.254 mmHg at 25 °C
Water Solubility of 2-Ethylamino-1,3,4-thiadiazole (CAS NO.13275-68-8): 5.51e+004 mg/L at 25 °C

Toxicity Data With Reference

1.    

ipr-rat LD50:200 mg/kg

     CPCHAO    Clinical Proceedings of the Children’s Hospital of the District of Columbia. 18 (1962),307.
2.    

scu-rat LD50:200 mg/kg

     JHMJAX    Johns Hopkins Medical Journal. 130 (1972),95.
3.    

ipr-mus LD50:795 mg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. Experimental teratogenic effects. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

  2-Ethylamino-1,3,4-thiadiazole with CAS registry number of 13275-68-8 is off-white needles, also known as 1,3,4-Thiadiazole, 2-ethylamino- ; 2-Ethylaminothiadiazole ; 4-27-00-08053 (Beilstein Handbook Reference) ; AI3-52466 ; CL 19217 4090L 7-5525 ; EATDA ; N-Ethyl-1,3,4-thiadiazol-2-amine ; NSC 4730 ; X 197 ; 1,3,4-Thiadiazol-2-amine, N-ethyl- ; 1,3,4-Thiadiazole, 2-ethylamino- .