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16111-27-6

Basic Information
CAS No.: 16111-27-6
Name: S-(2-DIMETHYLAMINOETHYL)ISOTHIOUREA DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 16111-27-6 (S-(2-DIMETHYLAMINOETHYL)ISOTHIOUREA DIHYDROCHLORIDE)
Formula: C5H13 N3 S . 2 Cl H
Molecular Weight: 220.166
Synonyms: Carbamimidothioicacid, 2-(dimethylamino)ethyl ester, dihydrochloride (9CI);Pseudourea,2-[2-(dimethylamino)ethyl]-2-thio-, dihydrochloride (8CI);Nordimaprit;SKF91487;
EINECS: 240-281-9
Density: g/cm3
Melting Point: 181°C
Boiling Point: 212.7°Cat760mmHg
Flash Point: 82.4°C
Solubility: almost transparency
Risk Codes: 36/37/38
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl.
PSA: 78.41000
LogP: 2.57870
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Chemistry

IUPAC Name: 2-Dimethylaminoethyl carbamimidothioate dihydrochloride
Synonyms of Nordimaprit (CAS NO.16111-27-6) : (Amino{[2-(dimethylammonio)ethyl]sulfanyl}methylene)ammonium dichloride ; Carbamimidothioic acid, 2- (dimethylamino)ethyl ester, dihydrochloride ; Carbamimidothioic acid, 2-(dimethylamino)ethyl ester, hydrochloride (1:2) ; 2-(2-(Dimethylamino)ethyl)-2-thiopseudourea dihydrochloride ; Carbamimidothioic acid, 2-(dimethylamino)ethyl ester, dihydrochloride
InChI:InChI=1/C5H13N3S.2ClH/c1-8(2)3-4-9-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H
CAS NO:16111-27-6
Molecular Formula:C5H15Cl2N3S
Molecular Weight :220.16
Molecular Structure :
EINECS: 240-281-9
Flash Point: 82.4 °C
Enthalpy of Vaporization: 44.9 kJ/mol
Boiling Point: 212.7 °C at 760 mmHg
Vapour Pressure: 0.171 mmHg at 25°C
Melting Point:181°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 442, 1972.
mouse LD50 intravenous 49100ug/kg (49.1mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 88, Pg. 156, 1968.
mouse LD50 subcutaneous 63mg/kg (63mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 576, 1957.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When  Nordimaprit (CAS NO.16111-27-6) is heated to decomposition, it emits toxic fumes of NOx, SOx, and HCl.

Risk Statements 36/37/38
R36/37/38: Nordimaprit (CAS NO.16111-27-6) is irritating to eyes, respiratory system and skin.
Safety Statements 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RTECS UM3770000