AG34676
501082-56-0 | Methyl 4-amino-5-methylthiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG34676
ChemicalName
Methyl 4-amino-5-methylthiophene-2-carboxylate
CasNumber
501082-56-0
MolecularFormula
C7H9NO2S
MolecularWeight
171.2169
MdlNumber
MFCD14694722
Smiles
COC(=O)c1cc(c(s1)C)N
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AG34676
ChemicalName: Methyl 4-amino-5-methylthiophene-2-carboxylate
CasNumber: 501082-56-0
MolecularFormula: C7H9NO2S
MolecularWeight: 171.2169
MdlNumber: MFCD14694722
Smiles: COC(=O)c1cc(c(s1)C)N
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AG34676
ChemicalName:
Methyl 4-amino-5-methylthiophene-2-carboxylate
CasNumber:
501082-56-0
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.2169
MdlNumber:
MFCD14694722
Smiles:
COC(=O)c1cc(c(s1)C)N
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AG34677
ChemicalName: tert-Butyl ((2-bromothiazol-5-yl)methyl)carbamate
CasNumber: 519003-04-4
MolecularFormula: C9H13BrN2O2S
MolecularWeight: 293.18071999999995
MdlNumber: MFCD20923801
Smiles: O=C(OC(C)(C)C)NCc1cnc(s1)Br
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AG34677
ChemicalName:
tert-Butyl ((2-bromothiazol-5-yl)methyl)carbamate
CasNumber:
519003-04-4
MolecularFormula:
C9H13BrN2O2S
MolecularWeight:
293.18071999999995
MdlNumber:
MFCD20923801
Smiles:
O=C(OC(C)(C)C)NCc1cnc(s1)Br
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
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Smiles: Clc1ccc(nc1)NC(=O)C(=O)[O-].[Li+]
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Clc1ccc(nc1)NC(=O)C(=O)[O-].[Li+]
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Smiles: COc1cc(ccc1OCc1ccccc1)CN(C(=O)CCCCc1ccccc1)CCc1ccccn1
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Smiles:
COc1cc(ccc1OCc1ccccc1)CN(C(=O)CCCCc1ccccc1)CCc1ccccn1
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HeavyAtomCount:
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