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6007-55-2

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Basic Information
CAS No.: 6007-55-2
Name: 4-Thiomorpholine acetic acid
Molecular Structure:
Molecular Structure of 6007-55-2 (4-Thiomorpholine acetic acid)
Formula: C6H11NO2S
Molecular Weight: 161.22
Synonyms: Rarechem AL BO 2187;
Density: 1.248 g/cm3
Boiling Point: 312.24 °C at 760 mmHg
Flash Point: 142.638 °C
PSA: 65.84000
LogP: 0.05770
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Specification

The CAS register number of 4-Thiomorpholine acetic acid is 6007-55-2. The systematic name about this chemical is thiomorpholin-4-ylacetic acid. The molecular formula about this chemical is C6H11NO2S and the molecular weight is 161.22.

Physical properties about 4-Thiomorpholine acetic acid are: (1)ACD/LogP: 0.80; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 65.84 Å2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 41.067 cm3; (12)Molar Volume: 129.193 cm3; (13)Polarizability: 16.28x10-24cm3; (14)Surface Tension: 48.886 dyne/cm; (15)Density: 1.248 g/cm3; (16)Flash Point: 142.638 °C; (17)Enthalpy of Vaporization: 60.836 kJ/mol; (18)Boiling Point: 312.24 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1CCSCC1
(2)InChI: InChI=1/C6H11NO2S/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
(3)InChIKey: ZAWRBDOBSINDEP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H11NO2S/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
(5)Std. InChIKey: ZAWRBDOBSINDEP-UHFFFAOYSA-N