Acetonitrile,2,2'-thiobis- supplier

Name
2-[(CYANOMETHYL)THIO]ACETONITRILE
EINECS
CAS No. 5848-75-9
Article Data16
CAS DataBase
Density 1.176 g/cm³
Solubility
Melting Point 47.5 °C(Solv: water (7732-18-5))
Formula C₄H₄N₂S
Boiling Point 280.2 °C at 760 mmHg
Molecular Weight 112.14
Flash Point 123.2 °C
Transport Information
Appearance
Safety
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms Thiobisacetonitrile;NSC 607750;Acetonitrile,thiodi- (6CI,7CI,8CI);Thiodiacetonitrile;
PSA 72.88000
LogP 0.76676

Acetonitrile,2,2'-thiobis- Specification

The Acetonitrile,2,2'-thiobis- is an organic compound with the formula C₄H₄N₂S. The systematic name of this chemical is 2,2'-sulfanediyldiacetonitrile. With the CAS registry number 5848-75-9, it is also named as 2-[(cyanomethyl)thio]acetonitrile.

Physical properties about Acetonitrile,2,2'-thiobis- are: (1)ACD/LogP: -0.09; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 72.88 Å²; (5)Index of Refraction: 1.507; (6)Molar Refractivity: 28.4 cm³; (7)Molar Volume: 95.2 cm³; (8)Polarizability: 11.26×10^-24cm³; (9)Surface Tension: 54.1 dyne/cm; (10)Density: 1.176 g/cm³; (11)Flash Point: 123.2 °C; (12)Enthalpy of Vaporization: 51.89 kJ/mol; (13)Boiling Point: 280.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00384 mmHg at 25°C.

Preparation of Acetonitrile,2,2'-thiobis-: this chemical can be prepared by chloroacetonitrile. This reaction will need reagents diethyl ether, NH₃, H₂S.

Acetonitrile,2,2'-thiobis- can be prepared by chloroacetonitrile

Uses of Acetonitrile,2,2'-thiobis-: it can be used to produce 1H,1'H-5,5'-sulfanediyldimethyl-bis-tetrazole by heating. It will need reagents NaN₃, NH₄Cl, LiF and solvent dimethylformamide with reaction time of 40 hours. The yield is about 71.5%.

Acetonitrile,2,2'-thiobis- can be used to produce 1H,1'H-5,5'-sulfanediyldimethyl-bis-tetrazole

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCSCC#N
(2)InChI: InChI=1/C4H4N2S/c5-1-3-7-4-2-6/h3-4H2
(3)InChIKey: YFUCPLPDBPZLGK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H4N2S/c5-1-3-7-4-2-6/h3-4H2
(5)Std. InChIKey: YFUCPLPDBPZLGK-UHFFFAOYSA-N

Product Name

2-[(CYANOMETHYL)THIO]ACETONITRILE

Acetonitrile,2,2'-thiobis- Specification

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