AF47003
27105-98-2 | 4-Ethyl-4H-1,2,4-triazole-3-thiol
Manufacturer: A2B Chem
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CatalogNumber
AF47003
ChemicalName
4-Ethyl-4H-1,2,4-triazole-3-thiol
CasNumber
27105-98-2
MolecularFormula
C4H7N3S
MolecularWeight
129.1835
MdlNumber
MFCD00185955
Smiles
CCn1cn[nH]c1=S
NscNumber
252938
Complexity
131
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AF47003
ChemicalName: 4-Ethyl-4H-1,2,4-triazole-3-thiol
CasNumber: 27105-98-2
MolecularFormula: C4H7N3S
MolecularWeight: 129.1835
MdlNumber: MFCD00185955
Smiles: CCn1cn[nH]c1=S
NscNumber: 252938
Complexity: 131
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AF47003
ChemicalName:
4-Ethyl-4H-1,2,4-triazole-3-thiol
CasNumber:
27105-98-2
MolecularFormula:
C4H7N3S
MolecularWeight:
129.1835
MdlNumber:
MFCD00185955
Smiles:
CCn1cn[nH]c1=S
NscNumber:
252938
Complexity:
131
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
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Smiles: NCCCC1=CC2=CC=CCC2Nc2c1cccc2
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCC1=CC2=CC=CCC2Nc2c1cccc2
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HydrogenBondAcceptorCount:
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Smiles: CC1=C(C(=C(C(=C1Cl)O)Cl)OC)C(=O)OC(C(C)O)C(CC=O)O
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Smiles:
CC1=C(C(=C(C(=C1Cl)O)Cl)OC)C(=O)OC(C(C)O)C(CC=O)O
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Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=c1[nH]c(=O)n(cc1C)C1C=CC(O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)n(cc1C)C1C=CC(O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__