AA94160
175277-76-6 | 1-(2,4-Difluorophenyl)-2-thiourea
Manufacturer: A2B Chem
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CatalogNumber
AA94160
ChemicalName
1-(2,4-Difluorophenyl)-2-thiourea
CasNumber
175277-76-6
MolecularFormula
C7H6F2N2S
MolecularWeight
188.1977
MdlNumber
MFCD00041150
Smiles
NC(=S)Nc1ccc(cc1F)F
NscNumber
370368
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AA94160
ChemicalName: 1-(2,4-Difluorophenyl)-2-thiourea
CasNumber: 175277-76-6
MolecularFormula: C7H6F2N2S
MolecularWeight: 188.1977
MdlNumber: MFCD00041150
Smiles: NC(=S)Nc1ccc(cc1F)F
NscNumber: 370368
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA94160
ChemicalName:
1-(2,4-Difluorophenyl)-2-thiourea
CasNumber:
175277-76-6
MolecularFormula:
C7H6F2N2S
MolecularWeight:
188.1977
MdlNumber:
MFCD00041150
Smiles:
NC(=S)Nc1ccc(cc1F)F
NscNumber:
370368
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c(nc1C(F)(F)F)sc(c2N)C(=O)OCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c(nc1C(F)(F)F)sc(c2N)C(=O)OCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ncc(cc1Cl)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ncc(cc1Cl)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA94163
ChemicalName: Ethyl 2-chloro-3-cyano-6-(trifluoromethyl)-pyridine-5-carboxylate
CasNumber: 175277-73-3
MolecularFormula: C10H6ClF3N2O2
MolecularWeight: 278.6150495999999
MdlNumber: MFCD00178758
Smiles: CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)Cl
NscNumber: __
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA94163
ChemicalName:
Ethyl 2-chloro-3-cyano-6-(trifluoromethyl)-pyridine-5-carboxylate
CasNumber:
175277-73-3
MolecularFormula:
C10H6ClF3N2O2
MolecularWeight:
278.6150495999999
MdlNumber:
MFCD00178758
Smiles:
CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)Cl
NscNumber:
__
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.7