C1CSCCC1=O
CAS: 1072-72-6
Nombre: thian-4-one
SMILES: C1CSCCC1=O

Molecular Processing

Molecular formula
C5H8OS
Molecular weight
116.18
Exact mass
116.0296
XLogP
1.08
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
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
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
31.57

Supplementary Information

InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N
Sinónimos
Tetrahydrothiopyran-4-oneTetrahydro-4H-thiopyran-4-onePenthianone4-Thiacyclohexanone4H-Thiopyran-4-one, tetrahydro-dihydro-2H-thiopyran-4(3H)-oneTetrahydrothiopyranoneUNII-667X5M356L4-tetrahydrothiopyranoneTetrahydrothia-4-pyranoneEINECS 214-015-7NSC-41599667X5M356L4h-tetrahydrothiopyran-4-oneTetrahydro-4H-thiapyran-4-one4-THIACYCLOHEXAN-1-ONETETRAHYDROTHIAPYRAN-4-ONEDTXSID40147948RefChem:188717DTXCID60704394H-Thiopyran-4-one, tetrahydro-(8CI)4H-Thiopyran-4-one, tetrahydro-(8CI)(9CI)InChI=1/C5H8OS/c6-5-1-3-7-4-2-5/h1-4HOVRJVKCZJCNSOW-UHFFFAOYSA-N1072-72-6thian-4-one4-Oxothiane1-Thiacyclohexan-4-oneTetrahydro-4-thiopyrone4-Oxotetrahydrothiopyran
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