C1=CC=C2C(=C1)SC3=CC=CC=C3S2=O
CAS: 2362-50-7
Nom: thianthrene 5-oxide
SMILES: C1=CC=C2C(=C1)SC3=CC=CC=C3S2=O

Molecular Processing

Molecular formula
C12H8OS2
Molecular weight
232.33
Exact mass
232.0017
XLogP
3.32
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.68

Supplementary Information

InChIKey: NYVGTLXTOJKHJN-UHFFFAOYSA-N
Synonymes
Thianthrene 5-oxide2362-50-7Thianthrene, 5-oxideDTXSID00178293RefChem:189260DTXCID30100784Thianthrene oxideThianthrene monooxideThianthrene S-oxideTCMDC-124300MFCD01464038thianthrene-5-oxideMLS002638514C12H8OS2NSC16859thianthren 5-oxidthianthrene-S-oxideNSC 168595|E?-thianthren-5-one5lambda4-thianthren-5-oneCHEMBL529598SCHEMBL1144620SCHEMBL29449827HMS3093B035H-5lambda~4~-Thianthren-5-oneCAA36250NSC-16859AKOS037649108BS-16583SMR001547988
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→