AA33814
120069-21-8 | 2-(Isopropylsulfonyl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA33814
ChemicalName
2-(Isopropylsulfonyl)acetonitrile
CasNumber
120069-21-8
MolecularFormula
C5H9NO2S
MolecularWeight
147.1955
MdlNumber
MFCD00051755
Smiles
CC(S(=O)(=O)CC#N)C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AA33814
ChemicalName: 2-(Isopropylsulfonyl)acetonitrile
CasNumber: 120069-21-8
MolecularFormula: C5H9NO2S
MolecularWeight: 147.1955
MdlNumber: MFCD00051755
Smiles: CC(S(=O)(=O)CC#N)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AA33814
ChemicalName:
2-(Isopropylsulfonyl)acetonitrile
CasNumber:
120069-21-8
MolecularFormula:
C5H9NO2S
MolecularWeight:
147.1955
MdlNumber:
MFCD00051755
Smiles:
CC(S(=O)(=O)CC#N)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.2
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: B#[Ca](#B)(#B)(#B)(#B)#B
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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Smiles:
B#[Ca](#B)(#B)(#B)(#B)#B
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: [B]=[W]#[BH2].[B]=[B].[BH2]#[W]
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[B]=[W]#[BH2].[B]=[B].[BH2]#[W]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: O=BOB(OB(OB=O)OB=O)[O-].[NH4+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=BOB(OB(OB=O)OB=O)[O-].[NH4+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__