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71418-33-2 | S-(3-Sulfopropyl)cysteine
CAS No: 71418-33-2 Catalog No: AG005IRD MDL No:
Product Description
Catalog Number:
AG005IRD
Chemical Name:
S-(3-Sulfopropyl)cysteine
CAS Number:
71418-33-2
Molecular Formula:
C6H13NO5S2
Molecular Weight:
243.3011
IUPAC Name:
2-amino-3-(3-sulfopropylsulfanyl)propanoic acid
InChI:
InChI=1S/C6H13NO5S2/c7-5(6(8)9)4-13-2-1-3-14(10,11)12/h5H,1-4,7H2,(H,8,9)(H,10,11,12)
InChI Key:
LHMMECGTUBINND-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CSCCCS(=O)(=O)O)N
NSC Number:
344480
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.292g/mol
Monoisotopic Mass:
243.024g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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