AB45152
591-28-6 | 4-Thiouracil
Manufacturer: A2B Chem
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CatalogNumber
AB45152
ChemicalName
4-Thiouracil
CasNumber
591-28-6
MolecularFormula
C4H4N2OS
MolecularWeight
128.1524
MdlNumber
MFCD00090842
Smiles
S=c1cc[nH]c(=O)[nH]1
NscNumber
43288
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
Xlogp3
-0.5
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CatalogNumber: AB45152
ChemicalName: 4-Thiouracil
CasNumber: 591-28-6
MolecularFormula: C4H4N2OS
MolecularWeight: 128.1524
MdlNumber: MFCD00090842
Smiles: S=c1cc[nH]c(=O)[nH]1
NscNumber: 43288
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
Xlogp3: -0.5
CatalogNumber:
AB45152
ChemicalName:
4-Thiouracil
CasNumber:
591-28-6
MolecularFormula:
C4H4N2OS
MolecularWeight:
128.1524
MdlNumber:
MFCD00090842
Smiles:
S=c1cc[nH]c(=O)[nH]1
NscNumber:
43288
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C)O
NscNumber: __
Complexity: 97.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C)O
NscNumber:
__
Complexity:
97.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AB45154
ChemicalName: 4-(Trifluoromethoxy)benzaldehyde
CasNumber: 659-28-9
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00041530
Smiles: O=Cc1ccc(cc1)OC(F)(F)F
NscNumber: __
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
Xlogp3: 3
CatalogNumber:
AB45154
ChemicalName:
4-(Trifluoromethoxy)benzaldehyde
CasNumber:
659-28-9
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00041530
Smiles:
O=Cc1ccc(cc1)OC(F)(F)F
NscNumber:
__
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
Xlogp3:
3
CatalogNumber: AB45155
ChemicalName: 4-(Trifluoromethyl)phenol
CasNumber: 402-45-9
MolecularFormula: C7H5F3O
MolecularWeight: 162.1092
MdlNumber: MFCD00002363
Smiles: FC(c1ccc(cc1)O)(F)F
NscNumber: 88303
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 2.8
CatalogNumber:
AB45155
ChemicalName:
4-(Trifluoromethyl)phenol
CasNumber:
402-45-9
MolecularFormula:
C7H5F3O
MolecularWeight:
162.1092
MdlNumber:
MFCD00002363
Smiles:
FC(c1ccc(cc1)O)(F)F
NscNumber:
88303
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
2.8