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Thiocyanic acid, triaminomethylester

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Name

Thiocyanic acid, triaminomethylester

EINECS N/A
CAS No. 7253-03-4 Density 1.477 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C2H6N4S Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 118.1608 Flash Point 129 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7253-03-4 (triaminomethyl thiocyanate) Hazard Symbols N/A
Synonyms

NSC66330;triaminomethyl thiocyanate;

 

Thiocyanic acid, triaminomethylester Specification

The Thiocyanic acid, triaminomethylester, with the CAS registry number 7253-03-4, has the systematic name of triaminomethyl thiocyanate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C2H6N4S.

The characteristics of Thiocyanic acid, triaminomethylester are as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 58.81 Å2; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 29.79 cm3; (9)Molar Volume: 79.9 cm3; (10)Polarizability: 11.81×10-24cm3; (11)Surface Tension: 99.9 dyne/cm; (12)Density: 1.477 g/cm3; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 289.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00217 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CSC(N)(N)N
(2)InChI: InChI=1/C2H6N4S/c3-1-7-2(4,5)6/h4-6H2
(3)InChIKey: WTHMPFIIEXIALV-UHFFFAOYAU

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