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141975-29-3 | L-Cysteine, N-acetyl-S-[2-[(2-chloroethyl)sulfonyl]ethyl]-
CAS No: 141975-29-3 Catalog No: AG001HH2 MDL No:
Product Description
Catalog Number:
AG001HH2
Chemical Name:
L-Cysteine, N-acetyl-S-[2-[(2-chloroethyl)sulfonyl]ethyl]-
CAS Number:
141975-29-3
Molecular Formula:
C9H16ClNO5S2
Molecular Weight:
317.8100
IUPAC Name:
2-acetamido-3-[2-(2-chloroethylsulfonyl)ethylsulfanyl]propanoic acid
InChI:
InChI=1S/C9H16ClNO5S2/c1-7(12)11-8(9(13)14)6-17-3-5-18(15,16)4-2-10/h8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
RJLJTWUPJINNEF-UHFFFAOYSA-N
SMILES:
ClCCS(=O)(=O)CCSC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.799g/mol
Monoisotopic Mass:
317.016g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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