AB32349
27623-05-8 | 6-(4-Methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one
Manufacturer: A2B Chem
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CatalogNumber
AB32349
ChemicalName
6-(4-Methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one
CasNumber
27623-05-8
MolecularFormula
C10H9N3OS
MolecularWeight
219.263
MdlNumber
MFCD07687288
Smiles
Cc1ccc(cc1)c1n[nH]c(=S)[nH]c1=O
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB32349
ChemicalName: 6-(4-Methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one
CasNumber: 27623-05-8
MolecularFormula: C10H9N3OS
MolecularWeight: 219.263
MdlNumber: MFCD07687288
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)[nH]c1=O
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB32349
ChemicalName:
6-(4-Methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one
CasNumber:
27623-05-8
MolecularFormula:
C10H9N3OS
MolecularWeight:
219.263
MdlNumber:
MFCD07687288
Smiles:
Cc1ccc(cc1)c1n[nH]c(=S)[nH]c1=O
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: CSc1nc(C)nc(n1)N
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CSc1nc(C)nc(n1)N
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Smiles: CCCC(=N)NO
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CCCC(=N)NO
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Smiles: O=C(NC(c1cccc(c1)Br)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
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Smiles:
O=C(NC(c1cccc(c1)Br)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
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Covalently-bondedUnitCount:
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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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