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13331-77-6 | L-Cysteine, S-butyl-, hydrochloride (9CI)
CAS No: 13331-77-6 Catalog No: AG0014LP MDL No:
Product Description
Catalog Number:
AG0014LP
Chemical Name:
L-Cysteine, S-butyl-, hydrochloride (9CI)
CAS Number:
13331-77-6
Molecular Formula:
C7H16ClNO2S
Molecular Weight:
213.7254
IUPAC Name:
(2R)-2-amino-3-butylsulfanylpropanoic acid;hydrochloride
InChI:
InChI=1S/C7H15NO2S.ClH/c1-2-3-4-11-5-6(8)7(9)10;/h6H,2-5,8H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChI Key:
SGGLBSHFNLOQRL-RGMNGODLSA-N
SMILES:
CCCCSC[C@@H](C(=O)O)N.Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.72g/mol
Monoisotopic Mass:
213.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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