AI45839
25195-58-8 | 2-(Methanesulfonylmethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI45839
ChemicalName
2-(Methanesulfonylmethyl)benzonitrile
CasNumber
25195-58-8
MolecularFormula
C9H9NO2S
MolecularWeight
195.2383
MdlNumber
MFCD19257810
Smiles
N#Cc1ccccc1CS(=O)(=O)C
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AI45839
ChemicalName: 2-(Methanesulfonylmethyl)benzonitrile
CasNumber: 25195-58-8
MolecularFormula: C9H9NO2S
MolecularWeight: 195.2383
MdlNumber: MFCD19257810
Smiles: N#Cc1ccccc1CS(=O)(=O)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI45839
ChemicalName:
2-(Methanesulfonylmethyl)benzonitrile
CasNumber:
25195-58-8
MolecularFormula:
C9H9NO2S
MolecularWeight:
195.2383
MdlNumber:
MFCD19257810
Smiles:
N#Cc1ccccc1CS(=O)(=O)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AI45840
ChemicalName: Methyl 2-(methanesulfonylmethyl)benzoate
CasNumber: 25195-65-7
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD00051692
Smiles: COC(=O)c1ccccc1CS(=O)(=O)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI45840
ChemicalName:
Methyl 2-(methanesulfonylmethyl)benzoate
CasNumber:
25195-65-7
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD00051692
Smiles:
COC(=O)c1ccccc1CS(=O)(=O)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.6
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Smiles: Nc1ccccc1CS(=O)(=O)C
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Smiles:
Nc1ccccc1CS(=O)(=O)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1sc(=S)n(c1C)C
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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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:
CCOC(=O)c1sc(=S)n(c1C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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