AB43128
1060-92-0 | 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
Manufacturer: A2B Chem
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CatalogNumber
AB43128
ChemicalName
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CasNumber
1060-92-0
MolecularFormula
C17H8F12N2S
MolecularWeight
500.3047
MdlNumber
MFCD00829878
Smiles
S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
556
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
6.6
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CatalogNumber: AB43128
ChemicalName: 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CasNumber: 1060-92-0
MolecularFormula: C17H8F12N2S
MolecularWeight: 500.3047
MdlNumber: MFCD00829878
Smiles: S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 556
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 6.6
CatalogNumber:
AB43128
ChemicalName:
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CasNumber:
1060-92-0
MolecularFormula:
C17H8F12N2S
MolecularWeight:
500.3047
MdlNumber:
MFCD00829878
Smiles:
S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
556
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
6.6
CatalogNumber: AB43129
ChemicalName: Cyclohexane-1,3-dione
CasNumber: 504-02-9
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD00001585
Smiles: O=C1CCCC(=O)C1
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB43129
ChemicalName:
Cyclohexane-1,3-dione
CasNumber:
504-02-9
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD00001585
Smiles:
O=C1CCCC(=O)C1
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB43130
ChemicalName: 1,3-Cyclopentanedione
CasNumber: 3859-41-4
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD00001405
Smiles: O=C1CCC(=O)C1
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
AB43130
ChemicalName:
1,3-Cyclopentanedione
CasNumber:
3859-41-4
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD00001405
Smiles:
O=C1CCC(=O)C1
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCOC(COC(=O)C)COC(=O)C
Complexity: 256
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCOC(COC(=O)C)COC(=O)C
Complexity:
256
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1