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CAS No.: | 879514-92-8 |
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Name: | 4-(AMINOMETHYL)TETRAHYDRO-2H-THIOPYRAN-4-OL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H13NOS |
Molecular Weight: | 147.241 |
Synonyms: | 4-(Aminomethyl)tetrahydro-2H-thiopyran-4-ol; |
EINECS: | 604-604-1 |
Density: | 1.167g/cm3 |
Boiling Point: | 276.5 °C at 760 mmHg |
Flash Point: | 121 °C |
PSA: | 71.55000 |
LogP: | 0.90350 |
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The 2H-Thiopyran-4-ol,4-(aminomethyl)tetrahydro-, with CAS registry number 879514-92-8, has the systematic name of 4-(aminomethyl)tetrahydrothiopyran-4-ol. Besides this, it is also called 4-(Aminomethyl)tetrahydro-2h-thiopyran-4-ol. And the chemical formula of this chemical is C6H13NOS.
Physical properties of 2H-Thiopyran-4-ol,4-(aminomethyl)tetrahydro-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 2; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 71.55 Å2; (6)Index of Refraction: 1.562; (7)Molar Refractivity: 40.94 cm3; (8)Molar Volume: 126 cm3; (9)Polarizability: 16.23×10-24cm3; (10)Surface Tension: 53 dyne/cm; (11)Density: 1.167 g/cm3; (12)Flash Point: 121 °C; (13)Enthalpy of Vaporization: 59.78 kJ/mol; (14)Boiling Point: 276.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000596 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCC1(O)CCSCC1
(2)InChI: InChI=1/C6H13NOS/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
(3)InChIKey: MDACFHKAMLKPSK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H13NOS/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
(5)Std. InChIKey: MDACFHKAMLKPSK-UHFFFAOYSA-N