AF42689
2127-11-9 | Bis(5-nitropyridin-2-yl)sulfane
Manufacturer: A2B Chem
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CatalogNumber
AF42689
ChemicalName
Bis(5-nitropyridin-2-yl)sulfane
CasNumber
2127-11-9
MolecularFormula
C10H6N4O4S
MolecularWeight
278.244
MdlNumber
MFCD01924353
Smiles
[O-][N+](=O)c1ccc(nc1)Sc1ccc(cn1)[N+](=O)[O-]
NscNumber
507304
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AF42689
ChemicalName: Bis(5-nitropyridin-2-yl)sulfane
CasNumber: 2127-11-9
MolecularFormula: C10H6N4O4S
MolecularWeight: 278.244
MdlNumber: MFCD01924353
Smiles: [O-][N+](=O)c1ccc(nc1)Sc1ccc(cn1)[N+](=O)[O-]
NscNumber: 507304
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF42689
ChemicalName:
Bis(5-nitropyridin-2-yl)sulfane
CasNumber:
2127-11-9
MolecularFormula:
C10H6N4O4S
MolecularWeight:
278.244
MdlNumber:
MFCD01924353
Smiles:
[O-][N+](=O)c1ccc(nc1)Sc1ccc(cn1)[N+](=O)[O-]
NscNumber:
507304
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.2
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Smiles: CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C4CC5=C6C(=CC=C5)CC7=C(C(=CC=C7)CC8=CC=CC(=C8OCCOCCOC9=C(C=CC(=C9)C(C)(C)CC(C)(C)C)OCCOCCO6)CC3=CC=C4)OCCOCCO2
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Smiles:
CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C4CC5=C6C(=CC=C5)CC7=C(C(=CC=C7)CC8=CC=CC(=C8OCCOCCOC9=C(C=CC(=C9)C(C)(C)CC(C)(C)C)OCCOCCO6)CC3=CC=C4)OCCOCCO2
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Smiles: CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2]
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Smiles:
CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2]
NscNumber:
__
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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