AA90492
168279-54-7 | Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA90492
ChemicalName
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
CasNumber
168279-54-7
MolecularFormula
C12H14O3S2
MolecularWeight
270.3678
MdlNumber
MFCD00085083
Smiles
CCOC(=O)c1sc(c2c1CCCC2=O)SC
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AA90492
ChemicalName: Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
CasNumber: 168279-54-7
MolecularFormula: C12H14O3S2
MolecularWeight: 270.3678
MdlNumber: MFCD00085083
Smiles: CCOC(=O)c1sc(c2c1CCCC2=O)SC
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AA90492
ChemicalName:
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
CasNumber:
168279-54-7
MolecularFormula:
C12H14O3S2
MolecularWeight:
270.3678
MdlNumber:
MFCD00085083
Smiles:
CCOC(=O)c1sc(c2c1CCCC2=O)SC
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CSc1sc(c2c1C(=O)CCC2)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CSc1sc(c2c1C(=O)CCC2)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)OC(=O)C=C
Complexity: 307
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 6.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)OC(=O)C=C
Complexity:
307
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
6.1
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__