AI58823
879324-03-5 | Carbamic acid, (4,5-dihydro-4-oxo-2-thiazolyl)-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI58823
ChemicalName
Carbamic acid, (4,5-dihydro-4-oxo-2-thiazolyl)-, 1,1-dimethylethyl ester
CasNumber
879324-03-5
MolecularFormula
C8H12N2O3S
MolecularWeight
216.2575
MdlNumber
MFCD16878919
Smiles
O=C(NC1=NC(=O)CS1)OC(C)(C)C
Complexity
294
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AI58823
ChemicalName: Carbamic acid, (4,5-dihydro-4-oxo-2-thiazolyl)-, 1,1-dimethylethyl ester
CasNumber: 879324-03-5
MolecularFormula: C8H12N2O3S
MolecularWeight: 216.2575
MdlNumber: MFCD16878919
Smiles: O=C(NC1=NC(=O)CS1)OC(C)(C)C
Complexity: 294
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AI58823
ChemicalName:
Carbamic acid, (4,5-dihydro-4-oxo-2-thiazolyl)-, 1,1-dimethylethyl ester
CasNumber:
879324-03-5
MolecularFormula:
C8H12N2O3S
MolecularWeight:
216.2575
MdlNumber:
MFCD16878919
Smiles:
O=C(NC1=NC(=O)CS1)OC(C)(C)C
Complexity:
294
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: Brc1ccc2c(c1)c(ccn2)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1ccc2c(c1)c(ccn2)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: ClCc1cc(I)cnc1.Cl
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
ClCc1cc(I)cnc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccccc1OCC(=O)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccccc1OCC(=O)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__