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138172-25-5 | L-Cysteine, S-(1,1-difluoroethyl)-
CAS No: 138172-25-5 Catalog No: AG00183T MDL No:
Product Description
Catalog Number:
AG00183T
Chemical Name:
L-Cysteine, S-(1,1-difluoroethyl)-
CAS Number:
138172-25-5
Molecular Formula:
C5H9F2NO2S
Molecular Weight:
185.1923
IUPAC Name:
2-amino-3-(1,1-difluoroethylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H9F2NO2S/c1-5(6,7)11-2-3(8)4(9)10/h3H,2,8H2,1H3,(H,9,10)
InChI Key:
OSUIDHFOHTWXLD-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)CSC(F)(F)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.189g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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