AI40248
1820608-05-6 | 4-Methanesulfonyl-3-methylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40248
ChemicalName
4-Methanesulfonyl-3-methylbenzonitrile
CasNumber
1820608-05-6
MolecularFormula
C9H9NO2S
MolecularWeight
195.2383
MdlNumber
MFCD27981301
Smiles
N#Cc1ccc(c(c1)C)S(=O)(=O)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AI40248
ChemicalName: 4-Methanesulfonyl-3-methylbenzonitrile
CasNumber: 1820608-05-6
MolecularFormula: C9H9NO2S
MolecularWeight: 195.2383
MdlNumber: MFCD27981301
Smiles: N#Cc1ccc(c(c1)C)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AI40248
ChemicalName:
4-Methanesulfonyl-3-methylbenzonitrile
CasNumber:
1820608-05-6
MolecularFormula:
C9H9NO2S
MolecularWeight:
195.2383
MdlNumber:
MFCD27981301
Smiles:
N#Cc1ccc(c(c1)C)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AI40249
ChemicalName: 2,5-Dimethanesulfonylbenzonitrile
CasNumber: 1820608-13-6
MolecularFormula: C9H9NO4S2
MolecularWeight: 259.3021
MdlNumber: MFCD28096642
Smiles: N#Cc1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Complexity: 500
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AI40249
ChemicalName:
2,5-Dimethanesulfonylbenzonitrile
CasNumber:
1820608-13-6
MolecularFormula:
C9H9NO4S2
MolecularWeight:
259.3021
MdlNumber:
MFCD28096642
Smiles:
N#Cc1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Complexity:
500
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AI40250
ChemicalName: (2-Hydroxy-4-phenylphenyl)thiourea
CasNumber: 1820608-16-9
MolecularFormula: C13H12N2OS
MolecularWeight: 244.3122
MdlNumber: MFCD28096662
Smiles: NC(=S)Nc1ccc(cc1O)c1ccccc1
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI40250
ChemicalName:
(2-Hydroxy-4-phenylphenyl)thiourea
CasNumber:
1820608-16-9
MolecularFormula:
C13H12N2OS
MolecularWeight:
244.3122
MdlNumber:
MFCD28096662
Smiles:
NC(=S)Nc1ccc(cc1O)c1ccccc1
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AI40251
ChemicalName: 5-Bromo-2-(methylsulfinyl)benzotrifluoride
CasNumber: 1820608-23-8
MolecularFormula: C8H6BrF3OS
MolecularWeight: 287.0968
MdlNumber: MFCD27981316
Smiles: Brc1ccc(c(c1)C(F)(F)F)S(=O)C
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AI40251
ChemicalName:
5-Bromo-2-(methylsulfinyl)benzotrifluoride
CasNumber:
1820608-23-8
MolecularFormula:
C8H6BrF3OS
MolecularWeight:
287.0968
MdlNumber:
MFCD27981316
Smiles:
Brc1ccc(c(c1)C(F)(F)F)S(=O)C
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.6