CCOC(=O)C(N)CS
CAS: 69685-04-7
Name: ethyl 2-amino-3-sulfanylpropanoate
SMILES: CCOC(=O)C(N)CS

Molecular Processing

Molecular formula
C5H11NO2S
Molecular weight
149.22
Exact mass
149.051
XLogP
-0.19
TPSA
52.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
38.46

Supplementary Information

InChIKey: YVKSGVDJQXLXDV-UHFFFAOYSA-N
Synonyme
Ethyl 2-amino-3-sulfanylpropanoate69685-04-7ETHYL 2-AMINO-3-MERCAPTOPROPANOATEEthyl DL-cysteinateethyl cysteinatecysteinethylesterEINECS 274-081-8SCHEMBL111397CHEMBL3559783SCHEMBL10632695BBL030426STL146353AKOS005721138EN300-718779SR-01000945172SR-01000945172-1
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