AI47709
3278-34-0 | Ethyl 2-(ethoxycarbonothioylthio)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI47709
ChemicalName
Ethyl 2-(ethoxycarbonothioylthio)acetate
CasNumber
3278-34-0
MolecularFormula
C7H12O3S2
MolecularWeight
208.2984
MdlNumber
MFCD11501887
Smiles
CCOC(=S)SCC(=O)OCC
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
2.3
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CatalogNumber: AI47709
ChemicalName: Ethyl 2-(ethoxycarbonothioylthio)acetate
CasNumber: 3278-34-0
MolecularFormula: C7H12O3S2
MolecularWeight: 208.2984
MdlNumber: MFCD11501887
Smiles: CCOC(=S)SCC(=O)OCC
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 2.3
CatalogNumber:
AI47709
ChemicalName:
Ethyl 2-(ethoxycarbonothioylthio)acetate
CasNumber:
3278-34-0
MolecularFormula:
C7H12O3S2
MolecularWeight:
208.2984
MdlNumber:
MFCD11501887
Smiles:
CCOC(=S)SCC(=O)OCC
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
2.3
CatalogNumber: AI47710
ChemicalName: 6-Methyl-2-pyridinone
CasNumber: 3279-76-3
MolecularFormula: C6H7NO
MolecularWeight: 109.12588000000001
MdlNumber: MFCD00006279
Smiles: Cc1cccc(=O)[nH]1
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AI47710
ChemicalName:
6-Methyl-2-pyridinone
CasNumber:
3279-76-3
MolecularFormula:
C6H7NO
MolecularWeight:
109.12588000000001
MdlNumber:
MFCD00006279
Smiles:
Cc1cccc(=O)[nH]1
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AI47711
ChemicalName: 6-Bromo-3,4-dihydro-1h-quinolin-2-one
CasNumber: 3279-90-1
MolecularFormula: C9H8BrNO
MolecularWeight: 226.0699
MdlNumber: MFCD03839832
Smiles: O=C1CCc2c(N1)ccc(c2)Br
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AI47711
ChemicalName:
6-Bromo-3,4-dihydro-1h-quinolin-2-one
CasNumber:
3279-90-1
MolecularFormula:
C9H8BrNO
MolecularWeight:
226.0699
MdlNumber:
MFCD03839832
Smiles:
O=C1CCc2c(N1)ccc(c2)Br
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)CNc1ccc(cc1)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)CNc1ccc(cc1)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__