이름: 2-(chloroformylmethylthio)-acetic acid methyl ester
SMILES:
COC(=O)CSCC(=O)ClMolecular Processing
Molecular formula
C5H7ClO3S
Molecular weight
182.63
Exact mass
181.9804
XLogP
0.66
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
40.2
Supplementary Information
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