CAS: 2689-68-1
이름: methyl 4-oxothiolane-3-carboxylate
SMILES:
COC(=O)C1CSCC1=OMolecular Processing
Molecular formula
C6H8O3S
Molecular weight
160.19
Exact mass
160.0194
XLogP
0.09
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
37.84
Supplementary Information
InChIKey: LEAKUJFYXNILRB-UHFFFAOYSA-N
동의어
2689-68-13-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester4-Carbomethoxy-3-thiophanoneMethyl tetrahydro-4-oxo-3-thiophenecarboxylateMethyl tetrahydro-4-oxo-3-thenoateEINECS 220-256-9NSC 127560DTXSID40863010RefChem:505469DTXCID20811695220-256-9Methyl 4-Oxotetrahydrothiophene-3-carboxylatemethyl 4-oxothiolane-3-carboxylateMFCD000523814-Carbomethoxytetrahydro-3-thiophenoneTetrahydro-4-oxo-3-thiophenecarboxylic acid methyl esterMethyl 3-oxotetrahydrothiophene-4-carboxylateNSC-127560Methyl4-oxo-tetrahydrothiophene-3-carboxylatemethyl 4-oxotetrahydro-thiophene-3-carboxylatemethyl 4-oxo-2,3,5-trihydrothiophene-3-carboxylate4-OXO-TETRAHYDRO-THIOPHENE-3-CARBOXYLIC ACIDMETHYL ESTERMethyl4-oxotetrahydrothiophene-3-carboxylateWEE9GZ2W2CSCHEMBL189981STR01903NSC127560SBB053871AKOS000281333AKOS016340868
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