AB44167
88-19-7 | o-Toluenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AB44167
ChemicalName
o-Toluenesulfonamide
CasNumber
88-19-7
MolecularFormula
C7H9NO2S
MolecularWeight
171.2169
MdlNumber
MFCD00007934
Smiles
Cc1ccccc1S(=O)(=O)N
NscNumber
2185
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB44167
ChemicalName: o-Toluenesulfonamide
CasNumber: 88-19-7
MolecularFormula: C7H9NO2S
MolecularWeight: 171.2169
MdlNumber: MFCD00007934
Smiles: Cc1ccccc1S(=O)(=O)N
NscNumber: 2185
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB44167
ChemicalName:
o-Toluenesulfonamide
CasNumber:
88-19-7
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.2169
MdlNumber:
MFCD00007934
Smiles:
Cc1ccccc1S(=O)(=O)N
NscNumber:
2185
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB44168
ChemicalName: 2-Methylimidazole
CasNumber: 693-98-1
MolecularFormula: C4H6N2
MolecularWeight: 82.1038
MdlNumber: MFCD00005190
Smiles: Cc1ncc[nH]1
NscNumber: 21394
Complexity: 44.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AB44168
ChemicalName:
2-Methylimidazole
CasNumber:
693-98-1
MolecularFormula:
C4H6N2
MolecularWeight:
82.1038
MdlNumber:
MFCD00005190
Smiles:
Cc1ncc[nH]1
NscNumber:
21394
Complexity:
44.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: AB44169
ChemicalName: 2-Methylisonicotinic acid
CasNumber: 4021-11-8
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598
MdlNumber: MFCD00513435
Smiles: Cc1nccc(c1)C(=O)O
NscNumber: __
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB44169
ChemicalName:
2-Methylisonicotinic acid
CasNumber:
4021-11-8
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598
MdlNumber:
MFCD00513435
Smiles:
Cc1nccc(c1)C(=O)O
NscNumber:
__
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB44170
ChemicalName: 2-(Methylthio)benzothiazole
CasNumber: 615-22-5
MolecularFormula: C8H7NS2
MolecularWeight: 181.2779
MdlNumber: MFCD00005784
Smiles: CSc1nc2c(s1)cccc2
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB44170
ChemicalName:
2-(Methylthio)benzothiazole
CasNumber:
615-22-5
MolecularFormula:
C8H7NS2
MolecularWeight:
181.2779
MdlNumber:
MFCD00005784
Smiles:
CSc1nc2c(s1)cccc2
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.1