AB67064
339017-59-3 | 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AB67064
ChemicalName
4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
CasNumber
339017-59-3
MolecularFormula
C9H12ClN3S
MolecularWeight
229.7297
MdlNumber
MFCD00973753
Smiles
CSc1nc(cc(n1)Cl)N1CCCC1
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB67064
ChemicalName: 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
CasNumber: 339017-59-3
MolecularFormula: C9H12ClN3S
MolecularWeight: 229.7297
MdlNumber: MFCD00973753
Smiles: CSc1nc(cc(n1)Cl)N1CCCC1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB67064
ChemicalName:
4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
CasNumber:
339017-59-3
MolecularFormula:
C9H12ClN3S
MolecularWeight:
229.7297
MdlNumber:
MFCD00973753
Smiles:
CSc1nc(cc(n1)Cl)N1CCCC1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AB67065
ChemicalName: 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber: 33089-15-5
MolecularFormula: C6H4ClN3S
MolecularWeight: 185.63405999999995
MdlNumber: MFCD00507261
Smiles: CSc1ncc(c(n1)Cl)C#N
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB67065
ChemicalName:
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber:
33089-15-5
MolecularFormula:
C6H4ClN3S
MolecularWeight:
185.63405999999995
MdlNumber:
MFCD00507261
Smiles:
CSc1ncc(c(n1)Cl)C#N
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: Clc1ccnc(n1)N1CCNCC1.Cl
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Clc1ccnc(n1)N1CCNCC1.Cl
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Smiles: O=C(C(F)(F)F)c1cc(Cl)ccc1N.Cl.O
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(C(F)(F)F)c1cc(Cl)ccc1N.Cl.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__