AG72052
63676-22-2 | 2-(4-Hydroxyphenyl)benzo[b]thiophen-6-ol
Manufacturer: A2B Chem
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CatalogNumber
AG72052
ChemicalName
2-(4-Hydroxyphenyl)benzo[b]thiophen-6-ol
CasNumber
63676-22-2
MolecularFormula
C14H10O2S
MolecularWeight
242.293
MdlNumber
MFCD16619490
Smiles
Oc1ccc(cc1)c1sc2c(c1)ccc(c2)O
Complexity
263
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AG72052
ChemicalName: 2-(4-Hydroxyphenyl)benzo[b]thiophen-6-ol
CasNumber: 63676-22-2
MolecularFormula: C14H10O2S
MolecularWeight: 242.293
MdlNumber: MFCD16619490
Smiles: Oc1ccc(cc1)c1sc2c(c1)ccc(c2)O
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AG72052
ChemicalName:
2-(4-Hydroxyphenyl)benzo[b]thiophen-6-ol
CasNumber:
63676-22-2
MolecularFormula:
C14H10O2S
MolecularWeight:
242.293
MdlNumber:
MFCD16619490
Smiles:
Oc1ccc(cc1)c1sc2c(c1)ccc(c2)O
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(c1ccccc1Br)C(=O)[O-])N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(C(c1ccccc1Br)C(=O)[O-])N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1csc(n1)[C@@H]1O[C@@H]([C@@H](C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1csc(n1)[C@@H]1O[C@@H]([C@@H](C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CNC(=CO)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=CNC(=CO)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__