AF28030
22876-19-3 | 5-Chloro-1,3-benzoxazole-2-thiol
Manufacturer: A2B Chem
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CatalogNumber
AF28030
ChemicalName
5-Chloro-1,3-benzoxazole-2-thiol
CasNumber
22876-19-3
MolecularFormula
C7H4ClNOS
MolecularWeight
185.6308
MdlNumber
MFCD00175241
Smiles
Clc1ccc2c(c1)[nH]c(=S)o2
NscNumber
26187
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
2.4
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CatalogNumber: AF28030
ChemicalName: 5-Chloro-1,3-benzoxazole-2-thiol
CasNumber: 22876-19-3
MolecularFormula: C7H4ClNOS
MolecularWeight: 185.6308
MdlNumber: MFCD00175241
Smiles: Clc1ccc2c(c1)[nH]c(=S)o2
NscNumber: 26187
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: 2.4
CatalogNumber:
AF28030
ChemicalName:
5-Chloro-1,3-benzoxazole-2-thiol
CasNumber:
22876-19-3
MolecularFormula:
C7H4ClNOS
MolecularWeight:
185.6308
MdlNumber:
MFCD00175241
Smiles:
Clc1ccc2c(c1)[nH]c(=S)o2
NscNumber:
26187
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
2.4
CatalogNumber: __
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Smiles: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
NscNumber: __
Complexity: __
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Smiles:
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
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Smiles: C1=CC=C2C(=C1)C(=C3C=C(C4=C(C3=C2OS(=O)(=O)[O-])NC5=C(N4)C6=C(C7=CC=CC=C7C(=C6C=C5Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Smiles:
C1=CC=C2C(=C1)C(=C3C=C(C4=C(C3=C2OS(=O)(=O)[O-])NC5=C(N4)C6=C(C7=CC=CC=C7C(=C6C=C5Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Smiles: OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CC1OC31[C@H]2CCC1=CC(=O)C=C[C@]31C
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CC1OC31[C@H]2CCC1=CC(=O)C=C[C@]31C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__