AI38400
1639350-77-8 | 4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AI38400
ChemicalName
4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CasNumber
1639350-77-8
MolecularFormula
C8H11N3O4S
MolecularWeight
245.2556
MdlNumber
MFCD29059800
Smiles
[O-][N+](=O)c1cnn(c1)C1CCS(=O)(=O)CC1
Complexity
358
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AI38400
ChemicalName: 4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CasNumber: 1639350-77-8
MolecularFormula: C8H11N3O4S
MolecularWeight: 245.2556
MdlNumber: MFCD29059800
Smiles: [O-][N+](=O)c1cnn(c1)C1CCS(=O)(=O)CC1
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AI38400
ChemicalName:
4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CasNumber:
1639350-77-8
MolecularFormula:
C8H11N3O4S
MolecularWeight:
245.2556
MdlNumber:
MFCD29059800
Smiles:
[O-][N+](=O)c1cnn(c1)C1CCS(=O)(=O)CC1
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
-0.1
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Smiles: Clc1cc(ccc1Cl)n1c(=O)[nH]c2c(c1=O)cccc2
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Smiles:
Clc1cc(ccc1Cl)n1c(=O)[nH]c2c(c1=O)cccc2
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Smiles: O=C1CC[C@H](N1)C(=O)N
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O=C1CC[C@H](N1)C(=O)N
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Smiles: OC(=O)c1cccnc1Nc1ccc(c(c1)C)C
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MolecularFormula:
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Smiles:
OC(=O)c1cccnc1Nc1ccc(c(c1)C)C
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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