AB59321
2274-42-2 | 2-(Methylsulfonyl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB59321
ChemicalName
2-(Methylsulfonyl)acetonitrile
CasNumber
2274-42-2
MolecularFormula
C3H5NO2S
MolecularWeight
119.1423
MdlNumber
MFCD00014743
Smiles
N#CCS(=O)(=O)C
NscNumber
207832
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
-1.4
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CatalogNumber: AB59321
ChemicalName: 2-(Methylsulfonyl)acetonitrile
CasNumber: 2274-42-2
MolecularFormula: C3H5NO2S
MolecularWeight: 119.1423
MdlNumber: MFCD00014743
Smiles: N#CCS(=O)(=O)C
NscNumber: 207832
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: -1.4
CatalogNumber:
AB59321
ChemicalName:
2-(Methylsulfonyl)acetonitrile
CasNumber:
2274-42-2
MolecularFormula:
C3H5NO2S
MolecularWeight:
119.1423
MdlNumber:
MFCD00014743
Smiles:
N#CCS(=O)(=O)C
NscNumber:
207832
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccccc1S(=O)(=O)C
NscNumber: __
Complexity: 250
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccccc1S(=O)(=O)C
NscNumber:
__
Complexity:
250
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)c1ccccc1S(=O)(=O)Cl
NscNumber: __
Complexity: 386
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)c1ccccc1S(=O)(=O)Cl
NscNumber:
__
Complexity:
386
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1S(=O)(=O)C
NscNumber: __
Complexity: 288
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1S(=O)(=O)C
NscNumber:
__
Complexity:
288
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7