Home Other Building Blocks Homocysteine, S-ethyl-N-formyl-

Homocysteine, S-ethyl-N-formyl-

CAS No.:
126872-00-2
Catalog Number:
AG000TEV
Molecular Formula:
C7H13NO3S
Molecular Weight:
191.2480
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Product Description
Catalog Number:
AG000TEV
Chemical Name:
Homocysteine, S-ethyl-N-formyl-
CAS Number:
126872-00-2
Molecular Formula:
C7H13NO3S
Molecular Weight:
191.2480
IUPAC Name:
4-ethylsulfanyl-2-formamidobutanoic acid
InChI:
InChI=1S/C7H13NO3S/c1-2-12-4-3-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)
InChI Key:
XARCKCMBMDYFMK-UHFFFAOYSA-N
SMILES:
CCSCC[C@@H](C(=O)O)NC=O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.062g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.245g/mol
Monoisotopic Mass:
191.062g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties