AA87381
16097-63-5 | 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AA87381
ChemicalName
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CasNumber
16097-63-5
MolecularFormula
C6H4ClF3N2S
MolecularWeight
228.6226
MdlNumber
MFCD00269080
Smiles
CSc1nc(Cl)cc(n1)C(F)(F)F
NscNumber
64344
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AA87381
ChemicalName: 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CasNumber: 16097-63-5
MolecularFormula: C6H4ClF3N2S
MolecularWeight: 228.6226
MdlNumber: MFCD00269080
Smiles: CSc1nc(Cl)cc(n1)C(F)(F)F
NscNumber: 64344
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA87381
ChemicalName:
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CasNumber:
16097-63-5
MolecularFormula:
C6H4ClF3N2S
MolecularWeight:
228.6226
MdlNumber:
MFCD00269080
Smiles:
CSc1nc(Cl)cc(n1)C(F)(F)F
NscNumber:
64344
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](N(S(=O)(=O)C)c1ccccc1)C
NscNumber: __
Complexity: 340
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](N(S(=O)(=O)C)c1ccccc1)C
NscNumber:
__
Complexity:
340
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA87387
ChemicalName: (R)-N-Boc-3-amino-3-phenylpropanoic acid
CasNumber: 161024-80-2
MolecularFormula: C14H19NO4
MolecularWeight: 265.305
MdlNumber: MFCD01320859
Smiles: O=C(OC(C)(C)C)N[C@@H](c1ccccc1)CC(=O)O
NscNumber: __
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AA87387
ChemicalName:
(R)-N-Boc-3-amino-3-phenylpropanoic acid
CasNumber:
161024-80-2
MolecularFormula:
C14H19NO4
MolecularWeight:
265.305
MdlNumber:
MFCD01320859
Smiles:
O=C(OC(C)(C)C)N[C@@H](c1ccccc1)CC(=O)O
NscNumber:
__
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2