AB48654
991-84-4 | 2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
Manufacturer: A2B Chem
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CatalogNumber
AB48654
ChemicalName
2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
CasNumber
991-84-4
MolecularFormula
C33H56N4OS2
MolecularWeight
588.9539
MdlNumber
MFCD00134696
Smiles
CCCCCCCCSc1nc(SCCCCCCCC)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber
328455
Complexity
603
Covalently-bondedUnitCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
20
Xlogp3
13.4
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CatalogNumber: AB48654
ChemicalName: 2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
CasNumber: 991-84-4
MolecularFormula: C33H56N4OS2
MolecularWeight: 588.9539
MdlNumber: MFCD00134696
Smiles: CCCCCCCCSc1nc(SCCCCCCCC)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber: 328455
Complexity: 603
Covalently-bondedUnitCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 20
Xlogp3: 13.4
CatalogNumber:
AB48654
ChemicalName:
2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
CasNumber:
991-84-4
MolecularFormula:
C33H56N4OS2
MolecularWeight:
588.9539
MdlNumber:
MFCD00134696
Smiles:
CCCCCCCCSc1nc(SCCCCCCCC)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber:
328455
Complexity:
603
Covalently-bondedUnitCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
20
Xlogp3:
13.4
CatalogNumber: AB48655
ChemicalName: 3-Dimethylaminophenol
CasNumber: 99-07-0
MolecularFormula: C8H11NO
MolecularWeight: 137.179
MdlNumber: MFCD00002264
Smiles: Oc1cccc(c1)N(C)C
NscNumber: 62017
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB48655
ChemicalName:
3-Dimethylaminophenol
CasNumber:
99-07-0
MolecularFormula:
C8H11NO
MolecularWeight:
137.179
MdlNumber:
MFCD00002264
Smiles:
Oc1cccc(c1)N(C)C
NscNumber:
62017
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cnccc1Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cnccc1Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48657
ChemicalName: 1-Methyl-1h-indazole-7-carbaldehyde
CasNumber: 951030-58-3
MolecularFormula: C9H8N2O
MolecularWeight: 160.17261999999997
MdlNumber: MFCD11111019
Smiles: O=Cc1cccc2c1n(C)nc2
NscNumber: __
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB48657
ChemicalName:
1-Methyl-1h-indazole-7-carbaldehyde
CasNumber:
951030-58-3
MolecularFormula:
C9H8N2O
MolecularWeight:
160.17261999999997
MdlNumber:
MFCD11111019
Smiles:
O=Cc1cccc2c1n(C)nc2
NscNumber:
__
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1