AC70007
74840-34-9 | 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC70007
ChemicalName
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber
74840-34-9
MolecularFormula
C6H5ClN2O2S
MolecularWeight
204.6341
MdlNumber
MFCD06643376
Smiles
CSc1ncc(c(n1)Cl)C(=O)O
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AC70007
ChemicalName: 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber: 74840-34-9
MolecularFormula: C6H5ClN2O2S
MolecularWeight: 204.6341
MdlNumber: MFCD06643376
Smiles: CSc1ncc(c(n1)Cl)C(=O)O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AC70007
ChemicalName:
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid
CasNumber:
74840-34-9
MolecularFormula:
C6H5ClN2O2S
MolecularWeight:
204.6341
MdlNumber:
MFCD06643376
Smiles:
CSc1ncc(c(n1)Cl)C(=O)O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]([C@@H](OS(=O)(=O)c1ccc(cc1)C)C)OS(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
C[C@@H]([C@@H](OS(=O)(=O)c1ccc(cc1)C)C)OS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: NC1NCC2C(N1)C1CCCC3C1C2CCC3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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Smiles:
NC1NCC2C(N1)C1CCCC3C1C2CCC3
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: OCC(CN1CCNCC1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
OCC(CN1CCNCC1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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