AI52086
53943-88-7 | 2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52086
ChemicalName
2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
CasNumber
53943-88-7
MolecularFormula
C10H17NO4S2
MolecularWeight
279.3763
MdlNumber
MFCD00867663
Smiles
CCOC(=O)CSCCC1NC(CS1)C(=O)O
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
8
UndefinedAtomStereocenterCount
2
Xlogp3
-1
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CatalogNumber: AI52086
ChemicalName: 2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
CasNumber: 53943-88-7
MolecularFormula: C10H17NO4S2
MolecularWeight: 279.3763
MdlNumber: MFCD00867663
Smiles: CCOC(=O)CSCCC1NC(CS1)C(=O)O
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 2
Xlogp3: -1
CatalogNumber:
AI52086
ChemicalName:
2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
CasNumber:
53943-88-7
MolecularFormula:
C10H17NO4S2
MolecularWeight:
279.3763
MdlNumber:
MFCD00867663
Smiles:
CCOC(=O)CSCCC1NC(CS1)C(=O)O
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
2
Xlogp3:
-1
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Smiles: OC(=O)CCc1cnc[nH]1.Cl
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Smiles:
OC(=O)CCc1cnc[nH]1.Cl
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__
HydrogenBondAcceptorCount:
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Smiles: COc1cc(N)c2c(c1Cl)cccn2
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Smiles:
COc1cc(N)c2c(c1Cl)cccn2
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)C(C(=O)OCC)CCC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)OCC)CCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__