AI55018
69-78-3 | 5,5'-Dithiobis(2-nitrobenzoic acid)
Manufacturer: A2B Chem
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CatalogNumber
AI55018
ChemicalName
5,5'-Dithiobis(2-nitrobenzoic acid)
CasNumber
69-78-3
MolecularFormula
C14H8N2O8S2
MolecularWeight
396.3519199999999
MdlNumber
MFCD00007140
Smiles
OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O
Complexity
528
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AI55018
ChemicalName: 5,5'-Dithiobis(2-nitrobenzoic acid)
CasNumber: 69-78-3
MolecularFormula: C14H8N2O8S2
MolecularWeight: 396.3519199999999
MdlNumber: MFCD00007140
Smiles: OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O
Complexity: 528
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AI55018
ChemicalName:
5,5'-Dithiobis(2-nitrobenzoic acid)
CasNumber:
69-78-3
MolecularFormula:
C14H8N2O8S2
MolecularWeight:
396.3519199999999
MdlNumber:
MFCD00007140
Smiles:
OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O
Complexity:
528
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: AI55019
ChemicalName: Toltrazuril
CasNumber: 69004-03-1
MolecularFormula: C18H14F3N3O4S
MolecularWeight: 425.3817
MdlNumber: MFCD00867201
Smiles: Cc1cc(ccc1Oc1ccc(cc1)SC(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI55019
ChemicalName:
Toltrazuril
CasNumber:
69004-03-1
MolecularFormula:
C18H14F3N3O4S
MolecularWeight:
425.3817
MdlNumber:
MFCD00867201
Smiles:
Cc1cc(ccc1Oc1ccc(cc1)SC(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1CCC(C1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1CCC(C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__