CAS No.312746-71-7,D-S-Isoamylcysteine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	312746-71-7
Name:	D-S-Isoamylcysteine
Article Data:	1

Formula:	C₈H₁₇NO₂S
Molecular Weight:	191.294
Synonyms:	D-cysteine, S-(3-methylbutyl)-;S-(3-Methylbutyl)-D-cysteine;
Density:	1.101g/cm³
Boiling Point:	315.5 °C at 760 mmHg
Flash Point:	144.6 °C
PSA:	88.62000
LogP:	1.87790

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Specification

The D-S-Isoamylcysteine with cas registry number of 312746-71-7, belongs to the following product categories: Cysteine [Cys, C]. It has the systematic name of D-cysteine, S-(3-methylbutyl)-. And it is also named S-(3-Methylbutyl)-D-cysteine.

Physical properties about this chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.39; (6)ACD/KOC (pH 7.4): 1.32; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 88.62 Å²; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 52.12 cm³; (13)Molar Volume: 173.6 cm³; (14)Polarizability: 20.66×10^-24cm³; (15)Surface Tension: 43.8 dyne/cm; (16)Enthalpy of Vaporization: 61.22 kJ/mol; (17)Vapour Pressure: 9.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CCSC[C@H](C(=O)O)N;
(2)InChI: InChI=1/C8H17NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1;
(3)InChIKey: YUSVYJUMMLFQFA-SSDOTTSWBM;
(4)Std. InChI: InChI=1S/C8H17NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1;
(5)Std. InChIKey: YUSVYJUMMLFQFA-SSDOTTSWSA-N