Название: methyl 2,2-bis(2-chloroethylsulfanyl)acetate
SMILES:
COC(=O)C(SCCCl)SCCClMolecular Processing
Molecular formula
C7H12Cl2O2S2
Molecular weight
263.21
Exact mass
261.9656
XLogP
2.43
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
62.16
Supplementary Information
InChIKey: ZYZAPPPQMGHZMJ-UHFFFAOYSA-N
Синонимы
SCHEMBL9156393ZYZAPPPQMGHZMJ-UHFFFAOYSA-Nmethyl bis(2-chloroethylthio)acetate
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