C1CSC2=C(C1=O)C=C(C=C2)F
CAS: 21243-18-5
Name: 6-fluoro-2,3-dihydrothiochromen-4-one
SMILES: C1CSC2=C(C1=O)C=C(C=C2)F

Molecular Processing

Molecular formula
C9H7FOS
Molecular weight
182.22
Exact mass
182.0202
XLogP
2.5
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.07

Supplementary Information

InChIKey: NBBGHADNMPMHST-UHFFFAOYSA-N
Synonyme
6-fluoro-2,3-dihydro-4h-1-benzothiopyran-4-oneRefChem:54310821243-18-56-Fluorothio-4-Chromanone6-fluorothiochroman-4-one6-fluoro-2,3-dihydro-4h-thiochromen-4-one6-fluoro-2,3-dihydrothiochromen-4-oneMFCD000784886-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-one4H-1-Benzothiopyran-4-one,6-fluoro-2,3-dihydro-Maybridge1_007680SCHEMBL127434H-1-Benzothiopyran-4-one, 6-fluoro-2,3-dihydro-orb3031409CHEMBL4281285SCHEMBL29595944HMS563F02DTXSID50372108NBBGHADNMPMHST-UHFFFAOYSA-NFr12450SBB089914AKOS0011164086-fluoro-2H,3H-benzo[e]thian-4-one6-fluoro-2H,3H-benzo[e]thiin-4-oneFS-1064SY062511DB-350420CS-0159648ST51041420EN300-07762
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