AB69195
33097-13-1 | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB69195
ChemicalName
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber
33097-13-1
MolecularFormula
C6H3Cl2N3S
MolecularWeight
220.0791
MdlNumber
MFCD00474490
Smiles
CSc1nc(Cl)c(c(n1)Cl)C#N
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AB69195
ChemicalName: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber: 33097-13-1
MolecularFormula: C6H3Cl2N3S
MolecularWeight: 220.0791
MdlNumber: MFCD00474490
Smiles: CSc1nc(Cl)c(c(n1)Cl)C#N
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB69195
ChemicalName:
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber:
33097-13-1
MolecularFormula:
C6H3Cl2N3S
MolecularWeight:
220.0791
MdlNumber:
MFCD00474490
Smiles:
CSc1nc(Cl)c(c(n1)Cl)C#N
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AB69196
ChemicalName: 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber: 89487-99-0
MolecularFormula: C6H5N3OS
MolecularWeight: 167.1884
MdlNumber: MFCD00831720
Smiles: CSc1ncc(c(=O)[nH]1)C#N
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB69196
ChemicalName:
2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber:
89487-99-0
MolecularFormula:
C6H5N3OS
MolecularWeight:
167.1884
MdlNumber:
MFCD00831720
Smiles:
CSc1ncc(c(=O)[nH]1)C#N
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AB69197
ChemicalName: 5-Cyanonicotinic acid
CasNumber: 887579-62-6
MolecularFormula: C7H4N2O2
MolecularWeight: 148.1189
MdlNumber: MFCD07367904
Smiles: N#Cc1cncc(c1)C(=O)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB69197
ChemicalName:
5-Cyanonicotinic acid
CasNumber:
887579-62-6
MolecularFormula:
C7H4N2O2
MolecularWeight:
148.1189
MdlNumber:
MFCD07367904
Smiles:
N#Cc1cncc(c1)C(=O)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.1
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Smiles: O=C1CCCCCCCCCCC=CCCC1
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Smiles:
O=C1CCCCCCCCCCC=CCCC1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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