AA45034
1291487-32-5 | tert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA45034
ChemicalName
tert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
CasNumber
1291487-32-5
MolecularFormula
C12H22N2O3S
MolecularWeight
274.3797
MdlNumber
MFCD18839250
Smiles
O=C(N1CC(=NS(=O)C(C)(C)C)C1)OC(C)(C)C
Complexity
383
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AA45034
ChemicalName: tert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
CasNumber: 1291487-32-5
MolecularFormula: C12H22N2O3S
MolecularWeight: 274.3797
MdlNumber: MFCD18839250
Smiles: O=C(N1CC(=NS(=O)C(C)(C)C)C1)OC(C)(C)C
Complexity: 383
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AA45034
ChemicalName:
tert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
CasNumber:
1291487-32-5
MolecularFormula:
C12H22N2O3S
MolecularWeight:
274.3797
MdlNumber:
MFCD18839250
Smiles:
O=C(N1CC(=NS(=O)C(C)(C)C)C1)OC(C)(C)C
Complexity:
383
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2(C1)CS(=O)(=O)C2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2(C1)CS(=O)(=O)C2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(ncc1)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(ncc1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA45037
ChemicalName: Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber: 1291487-28-9
MolecularFormula: C9H9BrN2O4
MolecularWeight: 289.0828
MdlNumber: MFCD18837634
Smiles: COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AA45037
ChemicalName:
Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber:
1291487-28-9
MolecularFormula:
C9H9BrN2O4
MolecularWeight:
289.0828
MdlNumber:
MFCD18837634
Smiles:
COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8