AC11561
87216-53-3 | 1-Allyl-1h-benzimidazole-2-thiol
Manufacturer: A2B Chem
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CatalogNumber
AC11561
ChemicalName
1-Allyl-1h-benzimidazole-2-thiol
CasNumber
87216-53-3
MolecularFormula
C10H10N2S
MolecularWeight
190.2648
MdlNumber
MFCD06655204
Smiles
C=CCn1c(S)nc2c1cccc2
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AC11561
ChemicalName: 1-Allyl-1h-benzimidazole-2-thiol
CasNumber: 87216-53-3
MolecularFormula: C10H10N2S
MolecularWeight: 190.2648
MdlNumber: MFCD06655204
Smiles: C=CCn1c(S)nc2c1cccc2
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AC11561
ChemicalName:
1-Allyl-1h-benzimidazole-2-thiol
CasNumber:
87216-53-3
MolecularFormula:
C10H10N2S
MolecularWeight:
190.2648
MdlNumber:
MFCD06655204
Smiles:
C=CCn1c(S)nc2c1cccc2
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
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Smiles: CCOc1ccc(c(c1)CC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOc1ccc(c(c1)CC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Fc1ccc(cc1)CNc1ccc(nn1)Cl
Complexity: __
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Smiles:
Fc1ccc(cc1)CNc1ccc(nn1)Cl
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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Smiles: CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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