AI63932
95154-01-1 | 2-(1,3-Benzothiazol-2-ylthio)succinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI63932
ChemicalName
2-(1,3-Benzothiazol-2-ylthio)succinic acid
CasNumber
95154-01-1
MolecularFormula
C11H9NO4S2
MolecularWeight
283.3235
MdlNumber
MFCD00134692
Smiles
OC(=O)CC(C(=O)O)Sc1nc2c(s1)cccc2
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AI63932
ChemicalName: 2-(1,3-Benzothiazol-2-ylthio)succinic acid
CasNumber: 95154-01-1
MolecularFormula: C11H9NO4S2
MolecularWeight: 283.3235
MdlNumber: MFCD00134692
Smiles: OC(=O)CC(C(=O)O)Sc1nc2c(s1)cccc2
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AI63932
ChemicalName:
2-(1,3-Benzothiazol-2-ylthio)succinic acid
CasNumber:
95154-01-1
MolecularFormula:
C11H9NO4S2
MolecularWeight:
283.3235
MdlNumber:
MFCD00134692
Smiles:
OC(=O)CC(C(=O)O)Sc1nc2c(s1)cccc2
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
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Smiles: FC(c1nc2c(n1C1CCNCC1)nccc2)(F)F
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Smiles:
FC(c1nc2c(n1C1CCNCC1)nccc2)(F)F
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Smiles: Nc1ccc(cc1)c1occ(n1)c1ccc(cc1C)C
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Smiles:
Nc1ccc(cc1)c1occ(n1)c1ccc(cc1C)C
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Smiles: C1CSC(CN1)c1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CSC(CN1)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__