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52662-65-4

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Basic Information
CAS No.: 52662-65-4
Name: 4-(1-Adamantyl)-3-thiosemicarbazide
Molecular Structure:
Molecular Structure of 52662-65-4 (4-(1-Adamantyl)-3-thiosemicarbazide)
Formula: C11H19N3S
Molecular Weight: 225.35
Synonyms: Adamantyl thiosemicarbazide;Hydrazinecarbothioamide,2-tricyclo[3.3.1.13,7]dec-1-yl-;
Density: 1.24g/cm3
Melting Point: 196-197°C
Boiling Point: 345.5°Cat760mmHg
Flash Point: 162.8°C
PSA: 82.17000
LogP: 2.77510
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Chemistry

Systematic Name: N-(Tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarbothioamide
Molecular Structure:
Molecular Formula: C11H19N3S
Molecular Weight: 225.35
CAS NO: 52662-65-4
H bond acceptors: 3
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 41.81 Å2
Index of Refraction: 1.636
Molar Refractivity: 64.83 cm3
Molar Volume: 180.8 cm3
Surface Tension: 60.9 dyne/cm
Density: 1.24 g/cm3
Flash Point: 162.8 °C
Enthalpy of Vaporization: 58.96 kJ/mol
Boiling Point: 345.5 °C at 760 mmHg
Vapour Pressure: 6.12E-05 mmHg at 25°C
Melting Point: 196-197°C
Product Categories of 4-(1-Adamantyl)-3-thiosemicarbazide (CAS NO.52662-65-4): Adamantane derivatives  
SMILES: S=C(NN)NC13CC2CC(CC(C1)C2)C3
InChI: InChI=1/C11H19N3S/c12-14-10(15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2,(H2,13,14,15)InChIKey: XIOUDVJTOYVRTB-UHFFFAOYAK
Std. InChI: InChI=1S/C11H19N3S/c12-14-10(15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2,(H2,13,14,15)
Std. InChIKey: XIOUDVJTOYVRTB-UHFFFAOYSA-N