AC83448
70920-59-1 | Methyl 2,4,6-trimethylbenzenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AC83448
ChemicalName
Methyl 2,4,6-trimethylbenzenesulfonate
CasNumber
70920-59-1
MolecularFormula
C10H14O3S
MolecularWeight
214.2814
MdlNumber
MFCD22383757
Smiles
COS(=O)(=O)c1c(C)cc(cc1C)C
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC83448
ChemicalName: Methyl 2,4,6-trimethylbenzenesulfonate
CasNumber: 70920-59-1
MolecularFormula: C10H14O3S
MolecularWeight: 214.2814
MdlNumber: MFCD22383757
Smiles: COS(=O)(=O)c1c(C)cc(cc1C)C
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC83448
ChemicalName:
Methyl 2,4,6-trimethylbenzenesulfonate
CasNumber:
70920-59-1
MolecularFormula:
C10H14O3S
MolecularWeight:
214.2814
MdlNumber:
MFCD22383757
Smiles:
COS(=O)(=O)c1c(C)cc(cc1C)C
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: OC(=O)[C@@H]1COc2c(O1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)[C@@H]1COc2c(O1)cccc2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CNCc1cnc(nc1)c1cccs1
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Smiles:
CNCc1cnc(nc1)c1cccs1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OCc1cnc(nc1)c1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cnc(nc1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__