Home Other Building Blocks D,L-SULFORAPHANE L-CYSTEINE

D,L-SULFORAPHANE L-CYSTEINE

CAS No.:
364083-21-6
Catalog Number:
AG00C9FY
Molecular Formula:
C9H18N2O3S3
Molecular Weight:
298.4458
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Product Description
Catalog Number:
AG00C9FY
Chemical Name:
D,L-SULFORAPHANE L-CYSTEINE
CAS Number:
364083-21-6
Molecular Formula:
C9H18N2O3S3
Molecular Weight:
298.4458
MDL Number:
MFCD09841292
IUPAC Name:
2-amino-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid
InChI:
InChI=1S/C9H18N2O3S3/c1-17(14)5-3-2-4-11-9(15)16-6-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,13)
InChI Key:
PUPMSTCTVNEOCX-UHFFFAOYSA-N
SMILES:
CS(=O)CCCCNC(=S)SC[C@@H](C(=O)O)N
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.434g/mol
Monoisotopic Mass:
298.048g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  
Properties