AD45661
1072944-76-3 | Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD45661
ChemicalName
Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber
1072944-76-3
MolecularFormula
C10H12N2O2S
MolecularWeight
224.2795
MdlNumber
MFCD11504925
Smiles
COC(=O)c1cnc(nc1C1CC1)SC
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AD45661
ChemicalName: Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber: 1072944-76-3
MolecularFormula: C10H12N2O2S
MolecularWeight: 224.2795
MdlNumber: MFCD11504925
Smiles: COC(=O)c1cnc(nc1C1CC1)SC
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AD45661
ChemicalName:
Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber:
1072944-76-3
MolecularFormula:
C10H12N2O2S
MolecularWeight:
224.2795
MdlNumber:
MFCD11504925
Smiles:
COC(=O)c1cnc(nc1C1CC1)SC
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AD45663
ChemicalName: 4-Bromo-7-chloro-8-methyl-2-(trifluoromethyl)quinoline
CasNumber: 1072944-67-2
MolecularFormula: C11H6BrClF3N
MolecularWeight: 324.5242
MdlNumber: MFCD11504913
Smiles: Clc1ccc2c(c1C)nc(cc2Br)C(F)(F)F
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
AD45663
ChemicalName:
4-Bromo-7-chloro-8-methyl-2-(trifluoromethyl)quinoline
CasNumber:
1072944-67-2
MolecularFormula:
C11H6BrClF3N
MolecularWeight:
324.5242
MdlNumber:
MFCD11504913
Smiles:
Clc1ccc2c(c1C)nc(cc2Br)C(F)(F)F
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)O.OCC(CO)(CO)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)O.OCC(CO)(CO)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(C(=O)c1ccccc1)c1ccccc1.COC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C(=O)c1ccccc1)c1ccccc1.COC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__