L-Cysteine, S-(2-boronoethyl)- supplier

Name
S-(2-boronoethyl)-L-cysteine
EINECS
CAS No. 63107-40-4
Density 1.372 g/cm³
Solubility
Melting Point
Formula C₅H₁₂BNO₄S
Boiling Point 451.636 °C at 760 mmHg
Molecular Weight 193.032
Flash Point 226.941 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-boronoethyl)-cysteine;S-(2-boronoethyl)-L-cysteine
PSA 129.08000
LogP -0.69540

L-Cysteine, S-(2-boronoethyl)- Specification

The L-Cysteine, S-(2-boronoethyl)- is an organic compound with the formula C₅H₁₂BNO₄S. With the CAS registry number 63107-40-4, its systematic name is S-[2-(dihydroxyboranyl)ethyl]-L-cysteine.

Physical properties of L-Cysteine, S-(2-boronoethyl)-: (1)ACD/LogP: -0.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 44.768 cm³; (14)Molar Volume: 140.68 cm³; (15)Surface Tension: 65.586 dyne/cm; (16)Density: 1.372 g/cm³; (17)Flash Point: 226.941 °C; (18)Enthalpy of Vaporization: 81.996 kJ/mol; (19)Boiling Point: 451.636 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CSCCB(O)O
(2)InChI: InChI=1/C5H12BNO4S/c7-4(5(8)9)3-12-2-1-6(10)11/h4,10-11H,1-3,7H2,(H,8,9)/t4-/m0/s1
(3)InChIKey: OTJHLDXXJHAZTN-BYPYZUCNBC

Product Name

S-(2-boronoethyl)-L-cysteine

L-Cysteine, S-(2-boronoethyl)- Specification

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