AI56005
756520-72-6 | 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI56005
ChemicalName
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester
CasNumber
756520-72-6
MolecularFormula
C15H22BNO4S
MolecularWeight
323.2155
MdlNumber
MFCD26937568
Smiles
O=S1(=O)CCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity
504
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
RotatableBondCount
2
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CatalogNumber: AI56005
ChemicalName: 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester
CasNumber: 756520-72-6
MolecularFormula: C15H22BNO4S
MolecularWeight: 323.2155
MdlNumber: MFCD26937568
Smiles: O=S1(=O)CCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 504
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
CatalogNumber:
AI56005
ChemicalName:
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester
CasNumber:
756520-72-6
MolecularFormula:
C15H22BNO4S
MolecularWeight:
323.2155
MdlNumber:
MFCD26937568
Smiles:
O=S1(=O)CCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
504
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)c1c[nH]nc1
Complexity: 338
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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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MdlNumber:
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Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1c[nH]nc1
Complexity:
338
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CN(CCS(=O)(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN(CCS(=O)(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)[C@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)[C@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__