AB79557
1072-72-6 | Tetrahydro-4H-thiopyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB79557
ChemicalName
Tetrahydro-4H-thiopyran-4-one
CasNumber
1072-72-6
MolecularFormula
C5H8OS
MolecularWeight
116.1814
MdlNumber
MFCD00006660
Smiles
O=C1CCSCC1
NscNumber
41599
Complexity
72.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
Xlogp3
0.3
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CatalogNumber: AB79557
ChemicalName: Tetrahydro-4H-thiopyran-4-one
CasNumber: 1072-72-6
MolecularFormula: C5H8OS
MolecularWeight: 116.1814
MdlNumber: MFCD00006660
Smiles: O=C1CCSCC1
NscNumber: 41599
Complexity: 72.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
Xlogp3: 0.3
CatalogNumber:
AB79557
ChemicalName:
Tetrahydro-4H-thiopyran-4-one
CasNumber:
1072-72-6
MolecularFormula:
C5H8OS
MolecularWeight:
116.1814
MdlNumber:
MFCD00006660
Smiles:
O=C1CCSCC1
NscNumber:
41599
Complexity:
72.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
Xlogp3:
0.3
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Smiles: IC(=C(I)I)I
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Smiles:
IC(=C(I)I)I
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Smiles: O=C1OC(c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O
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Smiles:
O=C1OC(c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O
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Complexity:
__
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HydrogenBondAcceptorCount:
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Xlogp3:
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Smiles: [O-]CC(C)C.[O-]CC(C)C.[O-]CC(C)C.[O-]CC(C)C.[Ti+4]
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]CC(C)C.[O-]CC(C)C.[O-]CC(C)C.[O-]CC(C)C.[Ti+4]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__