AI39147
174573-84-3 | 4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
Manufacturer: A2B Chem
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CatalogNumber
AI39147
ChemicalName
4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CasNumber
174573-84-3
MolecularFormula
C11H13N3OS
MolecularWeight
235.3054
MdlNumber
MFCD01164032
Smiles
COc1ccccc1c1nnc(n1CC)S
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AI39147
ChemicalName: 4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CasNumber: 174573-84-3
MolecularFormula: C11H13N3OS
MolecularWeight: 235.3054
MdlNumber: MFCD01164032
Smiles: COc1ccccc1c1nnc(n1CC)S
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI39147
ChemicalName:
4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CasNumber:
174573-84-3
MolecularFormula:
C11H13N3OS
MolecularWeight:
235.3054
MdlNumber:
MFCD01164032
Smiles:
COc1ccccc1c1nnc(n1CC)S
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C1=C(C=C(C=C1C(F)(F)F)N)C2=CC(=CC(=C2)N)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=C(C=C(C=C1C(F)(F)F)N)C2=CC(=CC(=C2)N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
ClC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__