AB80698
99972-47-1 | 3-Amino-5-phenylthiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB80698
ChemicalName
3-Amino-5-phenylthiophene-2-carboxylic acid
CasNumber
99972-47-1
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD09756507
Smiles
OC(=O)c1sc(cc1N)c1ccccc1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB80698
ChemicalName: 3-Amino-5-phenylthiophene-2-carboxylic acid
CasNumber: 99972-47-1
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD09756507
Smiles: OC(=O)c1sc(cc1N)c1ccccc1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB80698
ChemicalName:
3-Amino-5-phenylthiophene-2-carboxylic acid
CasNumber:
99972-47-1
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD09756507
Smiles:
OC(=O)c1sc(cc1N)c1ccccc1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=Cc1cc(Br)c(c(c1)OC)O)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#CC(=Cc1cc(Br)c(c(c1)OC)O)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(c(c1)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Ic1ccc(c(c1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCSSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCSSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__