CAS: 51338-33-1
이름: thiolane-2,4-dione
SMILES:
C1C(=O)CSC1=OMolecular Processing
Molecular formula
C4H4O2S
Molecular weight
116.14
Exact mass
115.9932
XLogP
0.22
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
27.09
Supplementary Information
InChIKey: KJLXVAPBVMFHOL-UHFFFAOYSA-N
동의어
Thiotetronic acidRefChem:897942684-545-5Thiolane-2,4-dione51338-33-14-Hydroxy-2(5H)-thiophenonethiophene-2,4(3H,5H)-dioneSCHEMBL565055SCHEMBL1819740DTXSID20436761KJLXVAPBVMFHOL-UHFFFAOYSA-NAT24293
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