AI03999
943115-91-1 | 5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI03999
ChemicalName
5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
CasNumber
943115-91-1
MolecularFormula
C14H14O2S
MolecularWeight
246.32476
MdlNumber
MFCD07375909
Smiles
CC(c1ccc(cc1)c1ccc(s1)C(=O)O)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.3
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CatalogNumber: AI03999
ChemicalName: 5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
CasNumber: 943115-91-1
MolecularFormula: C14H14O2S
MolecularWeight: 246.32476
MdlNumber: MFCD07375909
Smiles: CC(c1ccc(cc1)c1ccc(s1)C(=O)O)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AI03999
ChemicalName:
5-(4-Isopropylphenyl)thiophene-2-carboxylic acid
CasNumber:
943115-91-1
MolecularFormula:
C14H14O2S
MolecularWeight:
246.32476
MdlNumber:
MFCD07375909
Smiles:
CC(c1ccc(cc1)c1ccc(s1)C(=O)O)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1OCc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1OCc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI04001
ChemicalName: 2-[(Difluoromethyl)sulfanyl]-1,3-benzothiazole
CasNumber: 943-08-8
MolecularFormula: C8H5F2NS2
MolecularWeight: 217.2588
MdlNumber: MFCD00518584
Smiles: FC(Sc1nc2c(s1)cccc2)F
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AI04001
ChemicalName:
2-[(Difluoromethyl)sulfanyl]-1,3-benzothiazole
CasNumber:
943-08-8
MolecularFormula:
C8H5F2NS2
MolecularWeight:
217.2588
MdlNumber:
MFCD00518584
Smiles:
FC(Sc1nc2c(s1)cccc2)F
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)sc(n2)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)sc(n2)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__