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Basic Information
CAS No.: 70548-53-7
Name: (l)-2,6-DIAMINO-1-HEXANETHIOL DIHYDRO-CHLORIDE
Molecular Structure:
Molecular Structure of 70548-53-7 ((l)-2,6-DIAMINO-1-HEXANETHIOL DIHYDRO-CHLORIDE )
Formula: C6H16N2S•2ClH
Molecular Weight: 221.22
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.
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  • (6-azaniumyl-1-sulfanylhexan-2-yl)azanium,dichloride

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    (6-azaniumyl-1-sulfanylhexan-2-yl)azanium,dichloride

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Chemistry

Molecular Structure of 1-Hexanethiol, 2,6-diamino-, dihydrochloride, (L)- (CAS NO. 70548-53-7):

IUPAC Name: (6-Azaniumyl-1-sulfanylhexan-2-yl)azanium dichloride 
Molecular Formula: C6H18Cl2N2S
Molecular Weight: 221.191520 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C(CC[NH3+])CC(CS)[NH3+].[Cl-].[Cl-]
InChI: InChI=1S/C6H16N2S.2ClH/c7-4-2-1-3-6(8)5-9;;/h6,9H,1-5,7-8H2;2*1H
InChIKey: IJWCLWRMMXXNAV-UHFFFAOYSA-N
Flash Point: 110.1 °C
Enthalpy of Vaporization: 49.61 kJ/mol
Boiling Point: 258.5 °C at 760 mmHg
Vapour Pressure of 1-Hexanethiol, 2,6-diamino-, dihydrochloride, (L)- (CAS NO. 70548-53-7): 0.0137 mmHg at 25 °C

Toxicity Data With Reference

1.    

orl-mus LD50:450 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 22 (1979),631.
2.    

ipr-mus LD50:88 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 22 (1979),631.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.

Specification

  1-Hexanethiol, 2,6-diamino-, dihydrochloride, (L)- with cas registry number of 70548-53-7 is also known as 2,6-Diamino-1-hexanethiol dihydrochloride (L)- .