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| CAS No.: | 60668-81-7 |
|---|---|
| Name: | S-Benzyl-L-cystein-S-oxide |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H13NO3S |
| Molecular Weight: | 227.284 |
| Synonyms: | S-Benzyl-L-cystein-S-oxide;3-(Benzylsulfinyl)alanine;2-Amino-3-benzylsulfinylpropanoic acid; |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 504.5 °C at 760 mmHg |
| Flash Point: | 258.9 °C |
| PSA: | 99.60000 |
| LogP: | 1.91320 |
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- Total:36 Page 1 of 1 1
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Specification
The L-Cysteine, S-(phenylmethyl)-, S-oxide, with the CAS registry number 60668-81-7, is also known as S-Benzyl-L-cystein-S-oxide. This chemical's molecular formula is C10H13NO3S and molecular weight is 227.28. What's more, its systematic name is 3-(benzylsulfinyl)alanine.
Physical properties of L-Cysteine, S-(phenylmethyl)-, S-oxide are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 65.82 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 58.98 cm3; (9)Molar Volume: 163.4 cm3; (10)Polarizability: 23.38×10-24cm3; (11)Surface Tension: 75.9 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 258.9 °C; (14)Enthalpy of Vaporization: 81.5 kJ/mol; (15)Boiling Point: 504.5 °C at 760 mmHg; (16)Vapour Pressure: 5.34E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CS(=O)CC(C(=O)O)N
(2)InChI: InChI=1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
(3)InChIKey: OBQBHBOGTLPNJM-UHFFFAOYSA-N