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141975-28-2 | L-Cysteine, N-acetyl-S-[2-[(2-chloroethyl)sulfinyl]ethyl]-
CAS No: 141975-28-2 Catalog No: AG001HH3 MDL No:
Product Description
Catalog Number:
AG001HH3
Chemical Name:
L-Cysteine, N-acetyl-S-[2-[(2-chloroethyl)sulfinyl]ethyl]-
CAS Number:
141975-28-2
Molecular Formula:
C9H16ClNO4S2
Molecular Weight:
301.8106
IUPAC Name:
2-acetamido-3-[2-(2-chloroethylsulfinyl)ethylsulfanyl]propanoic acid
InChI:
InChI=1S/C9H16ClNO4S2/c1-7(12)11-8(9(13)14)6-16-3-5-17(15)4-2-10/h8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
JUWPLVFCOKBENI-UHFFFAOYSA-N
SMILES:
ClCCS(=O)CCSC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.8g/mol
Monoisotopic Mass:
301.021g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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