AH15305
733795-49-8 | 2-[(4H-1,2,4-Triazol-3-ylthio)methyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH15305
ChemicalName
2-[(4H-1,2,4-Triazol-3-ylthio)methyl]benzoic acid
CasNumber
733795-49-8
MolecularFormula
C10H9N3O2S
MolecularWeight
235.2624
MdlNumber
MFCD04636902
Smiles
OC(=O)c1ccccc1CSc1nnc[nH]1
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AH15305
ChemicalName: 2-[(4H-1,2,4-Triazol-3-ylthio)methyl]benzoic acid
CasNumber: 733795-49-8
MolecularFormula: C10H9N3O2S
MolecularWeight: 235.2624
MdlNumber: MFCD04636902
Smiles: OC(=O)c1ccccc1CSc1nnc[nH]1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AH15305
ChemicalName:
2-[(4H-1,2,4-Triazol-3-ylthio)methyl]benzoic acid
CasNumber:
733795-49-8
MolecularFormula:
C10H9N3O2S
MolecularWeight:
235.2624
MdlNumber:
MFCD04636902
Smiles:
OC(=O)c1ccccc1CSc1nnc[nH]1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: CCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: O=C(c1cccnc1)Nc1cccc(c1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
O=C(c1cccnc1)Nc1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCCn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__