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5392-26-7

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Basic Information
CAS No.: 5392-26-7
Name: decyl carbamimidothioate
Molecular Structure:
Molecular Structure of 5392-26-7 (decyl carbamimidothioate)
Formula: C11H24N2S•ClH
Molecular Weight: 252.89
Density: g/cm3
Boiling Point: 310.2°Cat760mmHg
Flash Point: 141.4°C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, HCL, and Cl−.
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    decyl carbamimidothioate hydrochloride

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Chemistry

Molecule structure of Decylthiuronium chloride (CAS NO.5392-26-7):

IUPAC Name: Decyl carbamimidothioate hydrochloride 
Molecular Weight: 252.8476 g/mol
Molecular Formula: C11H25ClN2S 
Boiling Point: 310.2 °C at 760 mmHg
Flash Point: 141.4 °C
Enthalpy of Vaporization: 55.1 kJ/mol 
Vapour Pressure: 0.000611 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 10
Exact Mass: 252.142697
MonoIsotopic Mass: 252.142697
Topological Polar Surface Area: 49.9
Heavy Atom Count: 15
Complexity: 137
Canonical SMILES: CCCCCCCCCCSC(=N)N.Cl
InChI: InChI=1S/C11H24N2S.ClH/c1-2-3-4-5-6-7-8-9-10-14-11(12)13;/h2-10H2,1H3,(H3,12,13);1H
InChIKey of Decylthiuronium chloride (CAS NO.5392-26-7): DAUFZRZYGIFXSJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:75 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, SOx, HCL, and Cl−.

Specification

 Decylthiuronium chloride (CAS NO.5392-26-7) is also named as 2-Decyl-2-thiopseudourea, monohydrochloride ; AI3-19860 ; Decylthiouronium chloride ; NSC 3274 ; Pseudourea, 2-decyl-2-thio-, monohydrochloride ; S-Decylthiourea chloride ; S-Decylthiuronium chloride ; Carbamimidothioic acid, decyl ester, monohydrochloride (9CI) ; Pseudourea, 2-decyl-2-thio-, hydrochloride (8CI) .