AB09848
20069-30-1 | 4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AB09848
ChemicalName
4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
CasNumber
20069-30-1
MolecularFormula
C8H8F3N3S
MolecularWeight
235.2294
MdlNumber
MFCD00041291
Smiles
NNC(=S)Nc1cccc(c1)C(F)(F)F
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB09848
ChemicalName: 4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
CasNumber: 20069-30-1
MolecularFormula: C8H8F3N3S
MolecularWeight: 235.2294
MdlNumber: MFCD00041291
Smiles: NNC(=S)Nc1cccc(c1)C(F)(F)F
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB09848
ChemicalName:
4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
CasNumber:
20069-30-1
MolecularFormula:
C8H8F3N3S
MolecularWeight:
235.2294
MdlNumber:
MFCD00041291
Smiles:
NNC(=S)Nc1cccc(c1)C(F)(F)F
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C(N1CCCC1)SCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C(N1CCCC1)SCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB09850
ChemicalName: Piperlongumine
CasNumber: 20069-09-4
MolecularFormula: C17H19NO5
MolecularWeight: 317.3365
MdlNumber: MFCD00075706
Smiles: COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1OC)OC
Complexity: 473
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AB09850
ChemicalName:
Piperlongumine
CasNumber:
20069-09-4
MolecularFormula:
C17H19NO5
MolecularWeight:
317.3365
MdlNumber:
MFCD00075706
Smiles:
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1OC)OC
Complexity:
473
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](c1ccccc1)CC(=O)O.CN1CCCC(C1C(c1ccccc1)c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](c1ccccc1)CC(=O)O.CN1CCCC(C1C(c1ccccc1)c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__