AD43748
171879-75-7 | 2-[4-(Methylsulfanyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD43748
ChemicalName
2-[4-(Methylsulfanyl)phenyl]benzonitrile
CasNumber
171879-75-7
MolecularFormula
C14H11NS
MolecularWeight
225.3088
MdlNumber
MFCD05981388
Smiles
CSc1ccc(cc1)c1ccccc1C#N
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
4.1
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CatalogNumber: AD43748
ChemicalName: 2-[4-(Methylsulfanyl)phenyl]benzonitrile
CasNumber: 171879-75-7
MolecularFormula: C14H11NS
MolecularWeight: 225.3088
MdlNumber: MFCD05981388
Smiles: CSc1ccc(cc1)c1ccccc1C#N
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AD43748
ChemicalName:
2-[4-(Methylsulfanyl)phenyl]benzonitrile
CasNumber:
171879-75-7
MolecularFormula:
C14H11NS
MolecularWeight:
225.3088
MdlNumber:
MFCD05981388
Smiles:
CSc1ccc(cc1)c1ccccc1C#N
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.1
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Smiles: O=C(N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
O=C(N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity:
__
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Smiles: CNC(=O)[C@H](Cc1ccccc1)NC(=O)C
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Smiles:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)C
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Smiles: [Zn+]C1C2CC3CC1CC(C2)C3.[Br-]
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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:
[Zn+]C1C2CC3CC1CC(C2)C3.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__