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625-59-2

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Basic Information
CAS No.: 625-59-2
Name: Isopropylthiocyanate
Article Data: 3
Molecular Structure:
Molecular Structure of 625-59-2 (Isopropylthiocyanate)
Formula: C4H7NS
Molecular Weight: 101.172
Synonyms: Thiocyanic acid isopropyl ester
Density: 0.989 g/cm3
Boiling Point: 153.6 °C at 760 mmHg
Flash Point: 46.7 °C
PSA: 49.09000
LogP: 1.60908
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Specification

This chemical is called 2-Thiocyanatopropane, and its systematic name is propan-2-yl thiocyanate. With the molecular formula of C4H7NS, its molecular weight is 101.17. The CAS registry number of this chemical is 625-59-2.

Other characteristics of the 2-Thiocyanatopropane can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 49.09 Å2; (7)Index of Refraction: 1.468; (8)Molar Refractivity: 28.44 cm3; (9)Molar Volume: 102.2 cm3; (10)Polarizability: 11.27×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 0.989 g/cm3; (13)Flash Point: 46.7 °C; (14)Enthalpy of Vaporization: 39.04 kJ/mol; (15)Boiling Point: 153.6 °C at 760 mmHg; (16)Vapour Pressure: 3.3 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#CSC(C)C
2.InChI: InChI=1/C4H7NS/c1-4(2)6-3-5/h4H,1-2H3
3.InChIKey: CUABTFPYLQSPAE-UHFFFAOYAB