AB44552
54016-70-5 | 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
Manufacturer: A2B Chem
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CatalogNumber
AB44552
ChemicalName
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
CasNumber
54016-70-5
MolecularFormula
C8H14BrNOS
MolecularWeight
252.1719
MdlNumber
MFCD00040549
Smiles
OCCc1sc[n+](c1C)CC.[Br-]
Complexity
121
Covalently-bondedUnitCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AB44552
ChemicalName: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
CasNumber: 54016-70-5
MolecularFormula: C8H14BrNOS
MolecularWeight: 252.1719
MdlNumber: MFCD00040549
Smiles: OCCc1sc[n+](c1C)CC.[Br-]
Complexity: 121
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB44552
ChemicalName:
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
CasNumber:
54016-70-5
MolecularFormula:
C8H14BrNOS
MolecularWeight:
252.1719
MdlNumber:
MFCD00040549
Smiles:
OCCc1sc[n+](c1C)CC.[Br-]
Complexity:
121
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1cccc(c1)N
Complexity: 80.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cccc(c1)N
Complexity:
80.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB44554
ChemicalName: 3-Ethylbenzophenone
CasNumber: 66067-43-4
MolecularFormula: C15H14O
MolecularWeight: 210.2711
MdlNumber: MFCD01662328
Smiles: CCc1cccc(c1)C(=O)c1ccccc1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AB44554
ChemicalName:
3-Ethylbenzophenone
CasNumber:
66067-43-4
MolecularFormula:
C15H14O
MolecularWeight:
210.2711
MdlNumber:
MFCD01662328
Smiles:
CCc1cccc(c1)C(=O)c1ccccc1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[n+]1csc2c1cccc2.[Br-]
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[n+]1csc2c1cccc2.[Br-]
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__