AB46037
50850-93-6 | Ethyl 2-amino-benzothiazole-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46037
ChemicalName
Ethyl 2-amino-benzothiazole-6-carboxylate
CasNumber
50850-93-6
MolecularFormula
C10H10N2O2S
MolecularWeight
222.2636
MdlNumber
MFCD00102724
Smiles
CCOC(=O)c1ccc2c(c1)sc(n2)N
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AB46037
ChemicalName: Ethyl 2-amino-benzothiazole-6-carboxylate
CasNumber: 50850-93-6
MolecularFormula: C10H10N2O2S
MolecularWeight: 222.2636
MdlNumber: MFCD00102724
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB46037
ChemicalName:
Ethyl 2-amino-benzothiazole-6-carboxylate
CasNumber:
50850-93-6
MolecularFormula:
C10H10N2O2S
MolecularWeight:
222.2636
MdlNumber:
MFCD00102724
Smiles:
CCOC(=O)c1ccc2c(c1)sc(n2)N
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AB46038
ChemicalName: Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CasNumber: 37842-58-3
MolecularFormula: C12H16N2O5S
MolecularWeight: 300.3308
MdlNumber: MFCD00666813
Smiles: Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
Complexity: 353
Covalently-bondedUnitCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB46038
ChemicalName:
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CasNumber:
37842-58-3
MolecularFormula:
C12H16N2O5S
MolecularWeight:
300.3308
MdlNumber:
MFCD00666813
Smiles:
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
Complexity:
353
Covalently-bondedUnitCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB46039
ChemicalName: Ethyl 2-(2-aminothiazol-4-yl)acetate
CasNumber: 53266-94-7
MolecularFormula: C7H10N2O2S
MolecularWeight: 186.2315
MdlNumber: MFCD00005330
Smiles: CCOC(=O)Cc1csc(n1)N
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AB46039
ChemicalName:
Ethyl 2-(2-aminothiazol-4-yl)acetate
CasNumber:
53266-94-7
MolecularFormula:
C7H10N2O2S
MolecularWeight:
186.2315
MdlNumber:
MFCD00005330
Smiles:
CCOC(=O)Cc1csc(n1)N
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: AB46040
ChemicalName: Ethyl 2-(benzyloxy)acetate
CasNumber: 32122-09-1
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD06204614
Smiles: CCOC(=O)COCc1ccccc1
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1.9
CatalogNumber:
AB46040
ChemicalName:
Ethyl 2-(benzyloxy)acetate
CasNumber:
32122-09-1
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD06204614
Smiles:
CCOC(=O)COCc1ccccc1
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1.9