AI37403
1549858-32-3 | 5-Amino-2-methanesulfonylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI37403
ChemicalName
5-Amino-2-methanesulfonylbenzonitrile
CasNumber
1549858-32-3
MolecularFormula
C8H8N2O2S
MolecularWeight
196.2263
MdlNumber
MFCD24220870
Smiles
N#Cc1cc(N)ccc1S(=O)(=O)C
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AI37403
ChemicalName: 5-Amino-2-methanesulfonylbenzonitrile
CasNumber: 1549858-32-3
MolecularFormula: C8H8N2O2S
MolecularWeight: 196.2263
MdlNumber: MFCD24220870
Smiles: N#Cc1cc(N)ccc1S(=O)(=O)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AI37403
ChemicalName:
5-Amino-2-methanesulfonylbenzonitrile
CasNumber:
1549858-32-3
MolecularFormula:
C8H8N2O2S
MolecularWeight:
196.2263
MdlNumber:
MFCD24220870
Smiles:
N#Cc1cc(N)ccc1S(=O)(=O)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1csc(n1)Cc1cccc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1csc(n1)Cc1cccc(c1)Cl
Complexity:
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RotatableBondCount:
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Smiles: O=C(N1CC2C(C1)CCC2)OC(C)(C)C
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Smiles:
O=C(N1CC2C(C1)CCC2)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: S=c1sc2c([nH]1)cccc2.[Zn]
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1sc2c([nH]1)cccc2.[Zn]
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__