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CAS No.: | 13702-02-8 |
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Name: | prop-2-yn-1-yl carbamimidothioate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H6N2S |
Molecular Weight: | 195.083 |
Synonyms: | [Amino(prop-2-ynylthio)methylidene]ammoniumbromide; |
Density: | 1.1 g/cm3 |
Boiling Point: | 182.7 °C at 760 mmHg |
Flash Point: | 64.3 °C |
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The prop-2-Ynylsulfanylmethanimidamide has CAS registry number 13702-02-8. This chemical's molecular formula is C4H6N2S and molecular weight is 114.17. What's more, its systematic name is prop-2-yn-1-yl carbamimidothioate.
Physical properties of prop-2-Ynylsulfanylmethanimidamide are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.9 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 32.43 cm3; (9)Molar Volume: 103.6 cm3; (10)Polarizability: 12.85×10-24cm3; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.1 g/cm3; (13)Flash Point: 64.3 °C; (14)Enthalpy of Vaporization: 41.89 kJ/mol; (15)Boiling Point: 182.7 °C at 760 mmHg; (16)Vapour Pressure: 0.8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [N@H]=C(SCC#C)N
(2)Std. InChI: InChI=1S/C4H6N2S/c1-2-3-7-4(5)6/h1H,3H2,(H3,5,6)
(3)Std. InChIKey: CPRHDNAFELKMOF-UHFFFAOYSA-N