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205173-20-2 | L-Cysteine, S-[1-(2-hydroxyethyl)butyl]-
CAS No: 205173-20-2 Catalog No: AG0029WY MDL No:
Product Description
Catalog Number:
AG0029WY
Chemical Name:
L-Cysteine, S-[1-(2-hydroxyethyl)butyl]-
CAS Number:
205173-20-2
Molecular Formula:
C9H19NO3S
Molecular Weight:
221.3171
IUPAC Name:
(2R)-2-amino-3-(1-hydroxyhexan-3-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C9H19NO3S/c1-2-3-7(4-5-11)14-6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m0/s1
InChI Key:
GTJBXOQYHBJVCS-MQWKRIRWSA-N
SMILES:
CCCC(SC[C@@H](C(=O)O)N)CCO
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.109g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.315g/mol
Monoisotopic Mass:
221.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| New cysteine-S-conjugate precursors of volatile sulfur compounds in bell peppers (Capsicum annuum L. cultivar). | Journal of agricultural and food chemistry 20110413 |
| Volatile organic sulfur-containing constituents in Poncirus trifoliata (L.) Raf. (Rutaceae). | Journal of agricultural and food chemistry 20070530 |
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