AI62754
938063-63-9 | Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI62754
ChemicalName
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
CasNumber
938063-63-9
MolecularFormula
C10H18O3S
MolecularWeight
218.3131
MdlNumber
MFCD22200648
Smiles
COC(=O)CCSC(=O)C(CC)(C)C
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
2.2
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CatalogNumber: AI62754
ChemicalName: Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
CasNumber: 938063-63-9
MolecularFormula: C10H18O3S
MolecularWeight: 218.3131
MdlNumber: MFCD22200648
Smiles: COC(=O)CCSC(=O)C(CC)(C)C
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 2.2
CatalogNumber:
AI62754
ChemicalName:
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
CasNumber:
938063-63-9
MolecularFormula:
C10H18O3S
MolecularWeight:
218.3131
MdlNumber:
MFCD22200648
Smiles:
COC(=O)CCSC(=O)C(CC)(C)C
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
2.2
CatalogNumber: AI62755
ChemicalName: 4-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CasNumber: 938066-17-2
MolecularFormula: C8H11IN2O
MolecularWeight: 278.0902
MdlNumber: MFCD19689194
Smiles: Ic1cnn(c1)C1CCCCO1
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AI62755
ChemicalName:
4-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CasNumber:
938066-17-2
MolecularFormula:
C8H11IN2O
MolecularWeight:
278.0902
MdlNumber:
MFCD19689194
Smiles:
Ic1cnn(c1)C1CCCCO1
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
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Smiles: Cc1ccc(cc1)c1ccc(c(c1)C(=O)O)C
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Cc1ccc(cc1)c1ccc(c(c1)C(=O)O)C
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Smiles: O=Cc1cc2cc(Cl)cc(c2nc1Cl)C
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Smiles:
O=Cc1cc2cc(Cl)cc(c2nc1Cl)C
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HydrogenBondAcceptorCount:
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