AB79653
30097-06-4 | Thiazolidine-2,4-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB79653
ChemicalName
Thiazolidine-2,4-dicarboxylic acid
CasNumber
30097-06-4
MolecularFormula
C5H7NO4S
MolecularWeight
177.1784
MdlNumber
MFCD00145399
Smiles
OC(=O)C1SCC(N1)C(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-2.7
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CatalogNumber: AB79653
ChemicalName: Thiazolidine-2,4-dicarboxylic acid
CasNumber: 30097-06-4
MolecularFormula: C5H7NO4S
MolecularWeight: 177.1784
MdlNumber: MFCD00145399
Smiles: OC(=O)C1SCC(N1)C(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -2.7
CatalogNumber:
AB79653
ChemicalName:
Thiazolidine-2,4-dicarboxylic acid
CasNumber:
30097-06-4
MolecularFormula:
C5H7NO4S
MolecularWeight:
177.1784
MdlNumber:
MFCD00145399
Smiles:
OC(=O)C1SCC(N1)C(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-2.7
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Smiles: c1ncc2c(c1)scn2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularWeight:
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Smiles:
c1ncc2c(c1)scn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Cc1sc(nc1C)n1nc(n[n+]1c1ccccc1)c1ccccc1.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1sc(nc1C)n1nc(n[n+]1c1ccccc1)c1ccccc1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ncc2c(c1)ccs2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ncc2c(c1)ccs2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__