AD72997
134-47-4 | 6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid)
Manufacturer: A2B Chem
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CatalogNumber
AD72997
ChemicalName
6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid)
CasNumber
134-47-4
MolecularFormula
C21H16N2O9S2
MolecularWeight
504.4897
MdlNumber
MFCD00035715
Smiles
O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
Complexity
886
Covalently-bondedUnitCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
6
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AD72997
ChemicalName: 6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid)
CasNumber: 134-47-4
MolecularFormula: C21H16N2O9S2
MolecularWeight: 504.4897
MdlNumber: MFCD00035715
Smiles: O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
Complexity: 886
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 6
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AD72997
ChemicalName:
6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid)
CasNumber:
134-47-4
MolecularFormula:
C21H16N2O9S2
MolecularWeight:
504.4897
MdlNumber:
MFCD00035715
Smiles:
O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
Complexity:
886
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
6
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AD72998
ChemicalName: tert-Butyl 4-mercaptopiperidine-1-carboxylate
CasNumber: 134464-79-2
MolecularFormula: C10H19NO2S
MolecularWeight: 217.3284
MdlNumber: MFCD10566037
Smiles: SC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AD72998
ChemicalName:
tert-Butyl 4-mercaptopiperidine-1-carboxylate
CasNumber:
134464-79-2
MolecularFormula:
C10H19NO2S
MolecularWeight:
217.3284
MdlNumber:
MFCD10566037
Smiles:
SC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
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Smiles: [O-][Se](=O)(=O)[O-].[Mg+2].O.O.O.O.O.O
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[O-][Se](=O)(=O)[O-].[Mg+2].O.O.O.O.O.O
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Smiles: CC(Nc1cccnc1N1CCN(CC1)C(=O)OC(C)(C)C)C
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Smiles:
CC(Nc1cccnc1N1CCN(CC1)C(=O)OC(C)(C)C)C
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