AA53126
1215205-85-8 | 5-Bromo-2-mercapto-6-methoxybenzothiazole
Manufacturer: A2B Chem
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CatalogNumber
AA53126
ChemicalName
5-Bromo-2-mercapto-6-methoxybenzothiazole
CasNumber
1215205-85-8
MolecularFormula
C8H6BrNOS2
MolecularWeight
276.1733
MdlNumber
MFCD15143549
Smiles
COc1cc2sc(=S)[nH]c2cc1Br
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AA53126
ChemicalName: 5-Bromo-2-mercapto-6-methoxybenzothiazole
CasNumber: 1215205-85-8
MolecularFormula: C8H6BrNOS2
MolecularWeight: 276.1733
MdlNumber: MFCD15143549
Smiles: COc1cc2sc(=S)[nH]c2cc1Br
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA53126
ChemicalName:
5-Bromo-2-mercapto-6-methoxybenzothiazole
CasNumber:
1215205-85-8
MolecularFormula:
C8H6BrNOS2
MolecularWeight:
276.1733
MdlNumber:
MFCD15143549
Smiles:
COc1cc2sc(=S)[nH]c2cc1Br
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(F)ccc1NC.Cl
Complexity: 121
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(F)ccc1NC.Cl
Complexity:
121
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)c1cccc(c1)C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)c1cccc(c1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)C(=O)O)c1ccc(cc1C(=O)O)F
Complexity: 351
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)C(=O)O)c1ccc(cc1C(=O)O)F
Complexity:
351
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3