AA98117
182415-24-3 | 5-Thien-2-yl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA98117
ChemicalName
5-Thien-2-yl-1h-pyrazole-3-carboxylic acid
CasNumber
182415-24-3
MolecularFormula
C8H6N2O2S
MolecularWeight
194.21043999999998
MdlNumber
MFCD05170066
Smiles
OC(=O)c1n[nH]c(c1)c1cccs1
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AA98117
ChemicalName: 5-Thien-2-yl-1h-pyrazole-3-carboxylic acid
CasNumber: 182415-24-3
MolecularFormula: C8H6N2O2S
MolecularWeight: 194.21043999999998
MdlNumber: MFCD05170066
Smiles: OC(=O)c1n[nH]c(c1)c1cccs1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA98117
ChemicalName:
5-Thien-2-yl-1h-pyrazole-3-carboxylic acid
CasNumber:
182415-24-3
MolecularFormula:
C8H6N2O2S
MolecularWeight:
194.21043999999998
MdlNumber:
MFCD05170066
Smiles:
OC(=O)c1n[nH]c(c1)c1cccs1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1[C@@H]2O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]([C@@H]1O)O[C@@H]2COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]5O)COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]4O)COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]3O)COCCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
O[C@H]1[C@@H]2O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](COCCCCS(=O)(=O)[O-])[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]([C@@H]1O)O[C@@H]2COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]5O)COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]4O)COCCCCS(=O)(=O)[O-])[C@H](O)[C@H]3O)COCCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(=O)Sc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCC(=O)Sc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc[n+](cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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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Smiles:
Cc1cc[n+](cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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