Chemical Name: (S)-3-(Allylsulphinyl)-L-alanine
Molecular Formula: C6H11NO3S
Molecular Weight: 177.22
InChI Key: XUHLIQGRKRUKPH-ITZCMCNPSA-N
InChI: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Refractive_Index:	1.579
Vapor_Pressure:	0.0±2.1 mmHg at 25°C
Flash_Point:	205.5±28.7 °C
LogP:	-0.48
Bolling_Point:	416.1±45.0 °C at 760 mmHg
FW:	177.221
PSA:	99.60000
Computational_Chemistry:	['四计算化学数据 ', '1 . XlogP -35 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 804 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 181 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	165ºC
MF:	C6H11NO3S
Exact_Mass:	177.045959
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 4349 ', '2 . Molar volume （m3/mol）1308 ', '3 . Parachor （902K）3790 ', '4 . Surface tension 703 ', '5 . Polarizability 1724']
Density:	1.4±0.1 g/cm3
More_Info:	['一物性数据 ', '1性质半Water 合物，无臭味，从稀丙酮中析出针晶束。 ', '2. Melting point164～166℃(起泡)。 ', '3旋光度+635℃(c=2) ', '4易Soluble in Water ，Insoluble in 无Water Ethanol 氯仿丙酮 Ethyl ether 苯。']

Symbol:	GHS07
Risk_Statements(EU):	R36/37/38
HS_Code:	2942000000
WGK_Germany:	3
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi:Irritant;
Warning_Statement:	P261-P305 + P351 + P338
Safety_Statements:	H315-H319-H335