AA27408
123971-35-7 | 2-Thiazolecarboxylic acid, 4-(4-methylphenyl)-
Manufacturer: A2B Chem
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CatalogNumber
AA27408
ChemicalName
2-Thiazolecarboxylic acid, 4-(4-methylphenyl)-
CasNumber
123971-35-7
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD07375209
Smiles
Cc1ccc(cc1)c1csc(n1)C(=O)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AA27408
ChemicalName: 2-Thiazolecarboxylic acid, 4-(4-methylphenyl)-
CasNumber: 123971-35-7
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD07375209
Smiles: Cc1ccc(cc1)c1csc(n1)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA27408
ChemicalName:
2-Thiazolecarboxylic acid, 4-(4-methylphenyl)-
CasNumber:
123971-35-7
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD07375209
Smiles:
Cc1ccc(cc1)c1csc(n1)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
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Smiles: COc1ccc(cc1)c1scc(n1)NC(=O)c1n[nH]nn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(cc1)c1scc(n1)NC(=O)c1n[nH]nn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: C=CC(=O)Oc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CC(=O)Oc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1cccc(c1)c1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1c(C)c[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1cccc(c1)c1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1c(C)c[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__