AB57877
5381-25-9 | 1-Benzothiophene-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57877
ChemicalName
1-Benzothiophene-3-carboxylic acid
CasNumber
5381-25-9
MolecularFormula
C9H6O2S
MolecularWeight
178.2077
MdlNumber
MFCD01846406
Smiles
OC(=O)c1csc2c1cccc2
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB57877
ChemicalName: 1-Benzothiophene-3-carboxylic acid
CasNumber: 5381-25-9
MolecularFormula: C9H6O2S
MolecularWeight: 178.2077
MdlNumber: MFCD01846406
Smiles: OC(=O)c1csc2c1cccc2
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB57877
ChemicalName:
1-Benzothiophene-3-carboxylic acid
CasNumber:
5381-25-9
MolecularFormula:
C9H6O2S
MolecularWeight:
178.2077
MdlNumber:
MFCD01846406
Smiles:
OC(=O)c1csc2c1cccc2
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB57878
ChemicalName: Benzoylthiourea
CasNumber: 614-23-3
MolecularFormula: C8H8N2OS
MolecularWeight: 180.2269
MdlNumber: MFCD00041191
Smiles: O=C(c1ccccc1)NC(=S)N
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB57878
ChemicalName:
Benzoylthiourea
CasNumber:
614-23-3
MolecularFormula:
C8H8N2OS
MolecularWeight:
180.2269
MdlNumber:
MFCD00041191
Smiles:
O=C(c1ccccc1)NC(=S)N
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
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Smiles: Brc1ccc2c(n1)n(cc2)C(=O)c1ccccc1
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Smiles:
Brc1ccc2c(n1)n(cc2)C(=O)c1ccccc1
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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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