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127348-02-1 | D-Cysteine, S-[(4-methylphenyl)methyl]-
CAS No: 127348-02-1 Catalog No: AG000WY1 MDL No:MFCD00236945
Product Description
Catalog Number:
AG000WY1
Chemical Name:
D-Cysteine, S-[(4-methylphenyl)methyl]-
CAS Number:
127348-02-1
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD00236945
IUPAC Name:
(2S)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoic acid
InChI:
InChI=1S/C11H15NO2S/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1
InChI Key:
QOAPFSZIUBUTNW-SNVBAGLBSA-N
SMILES:
N[C@@H](C(=O)O)CSCc1ccc(cc1)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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