AI40249
1820608-13-6 | 2,5-Dimethanesulfonylbenzonitrile
Manufacturer: A2B Chem
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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
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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CNC(=O)CNC(=O)OCc1ccccc1)O
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CNC(=O)CNC(=O)OCc1ccccc1)O
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5