AV18276
112101-60-7 | Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18276
ChemicalName
Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
CasNumber
112101-60-7
MolecularFormula
C10H10O3S
MolecularWeight
210.2496
MdlNumber
MFCD00137807
Smiles
COC(=O)C1CCc2c(C1=O)ccs2
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AV18276
ChemicalName: Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
CasNumber: 112101-60-7
MolecularFormula: C10H10O3S
MolecularWeight: 210.2496
MdlNumber: MFCD00137807
Smiles: COC(=O)C1CCc2c(C1=O)ccs2
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AV18276
ChemicalName:
Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
CasNumber:
112101-60-7
MolecularFormula:
C10H10O3S
MolecularWeight:
210.2496
MdlNumber:
MFCD00137807
Smiles:
COC(=O)C1CCc2c(C1=O)ccs2
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)NS(=O)(=O)c1ccc(cc1)Br
Complexity: 417
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)NS(=O)(=O)c1ccc(cc1)Br
Complexity:
417
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)C
Complexity: 390
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)C
Complexity:
390
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: AV18279
ChemicalName: 2-Ethyl-1,3-diazaspiro[4.4]non-1-en-4-one
CasNumber: 1003959-62-3
MolecularFormula: C9H14N2O
MolecularWeight: 166.2203
MdlNumber: MFCD24615238
Smiles: CCC1=NC(=O)C2(N1)CCCC2
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AV18279
ChemicalName:
2-Ethyl-1,3-diazaspiro[4.4]non-1-en-4-one
CasNumber:
1003959-62-3
MolecularFormula:
C9H14N2O
MolecularWeight:
166.2203
MdlNumber:
MFCD24615238
Smiles:
CCC1=NC(=O)C2(N1)CCCC2
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7