AD65612
1778-09-2 | 4'-(Methylthio)acetophenone
Manufacturer: A2B Chem
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CatalogNumber
AD65612
ChemicalName
4'-(Methylthio)acetophenone
CasNumber
1778-09-2
MolecularFormula
C9H10OS
MolecularWeight
166.2401
MdlNumber
MFCD00039835
Smiles
CSc1ccc(cc1)C(=O)C
NscNumber
403927
Complexity
137
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AD65612
ChemicalName: 4'-(Methylthio)acetophenone
CasNumber: 1778-09-2
MolecularFormula: C9H10OS
MolecularWeight: 166.2401
MdlNumber: MFCD00039835
Smiles: CSc1ccc(cc1)C(=O)C
NscNumber: 403927
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AD65612
ChemicalName:
4'-(Methylthio)acetophenone
CasNumber:
1778-09-2
MolecularFormula:
C9H10OS
MolecularWeight:
166.2401
MdlNumber:
MFCD00039835
Smiles:
CSc1ccc(cc1)C(=O)C
NscNumber:
403927
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
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Smiles: CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
NscNumber:
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Complexity:
__
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RotatableBondCount:
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Smiles: OCCSc1ccc(cn1)Cl
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HydrogenBondAcceptorCount: __
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Smiles:
OCCSc1ccc(cn1)Cl
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(C(S(=O)(=O)c1ccc(cc1)Cl)(C)C)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
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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=C(C(S(=O)(=O)c1ccc(cc1)Cl)(C)C)OC(C)(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__