AB50604
1044145-59-6 | (4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AB50604
ChemicalName
(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
CasNumber
1044145-59-6
MolecularFormula
C6H7ClN2OS
MolecularWeight
190.6506
MdlNumber
MFCD11858523
Smiles
CSc1ncc(c(n1)Cl)CO
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB50604
ChemicalName: (4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
CasNumber: 1044145-59-6
MolecularFormula: C6H7ClN2OS
MolecularWeight: 190.6506
MdlNumber: MFCD11858523
Smiles: CSc1ncc(c(n1)Cl)CO
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB50604
ChemicalName:
(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
CasNumber:
1044145-59-6
MolecularFormula:
C6H7ClN2OS
MolecularWeight:
190.6506
MdlNumber:
MFCD11858523
Smiles:
CSc1ncc(c(n1)Cl)CO
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2n(c1)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2n(c1)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50606
ChemicalName: Alisertib
CasNumber: 1028486-01-2
MolecularFormula: C27H20ClFN4O4
MolecularWeight: 518.9235
MdlNumber: MFCD16621243
Smiles: COc1cccc(c1C1=NCc2c(-c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB50606
ChemicalName:
Alisertib
CasNumber:
1028486-01-2
MolecularFormula:
C27H20ClFN4O4
MolecularWeight:
518.9235
MdlNumber:
MFCD16621243
Smiles:
COc1cccc(c1C1=NCc2c(-c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50608
ChemicalName: 2-Bromo-3-fluorobenzaldehyde
CasNumber: 891180-59-9
MolecularFormula: C7H4BrFO
MolecularWeight: 203.0084632
MdlNumber: MFCD07782044
Smiles: O=Cc1cccc(c1Br)F
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB50608
ChemicalName:
2-Bromo-3-fluorobenzaldehyde
CasNumber:
891180-59-9
MolecularFormula:
C7H4BrFO
MolecularWeight:
203.0084632
MdlNumber:
MFCD07782044
Smiles:
O=Cc1cccc(c1Br)F
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.2