AB74077
152009-44-4 | Ethyl thiomorpholine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB74077
ChemicalName
Ethyl thiomorpholine-2-carboxylate
CasNumber
152009-44-4
MolecularFormula
C7H13NO2S
MolecularWeight
175.2486
MdlNumber
MFCD20134212
Smiles
CCOC(=O)C1CNCCS1
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AB74077
ChemicalName: Ethyl thiomorpholine-2-carboxylate
CasNumber: 152009-44-4
MolecularFormula: C7H13NO2S
MolecularWeight: 175.2486
MdlNumber: MFCD20134212
Smiles: CCOC(=O)C1CNCCS1
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AB74077
ChemicalName:
Ethyl thiomorpholine-2-carboxylate
CasNumber:
152009-44-4
MolecularFormula:
C7H13NO2S
MolecularWeight:
175.2486
MdlNumber:
MFCD20134212
Smiles:
CCOC(=O)C1CNCCS1
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=O)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=O)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB74079
ChemicalName: Ethyl thiophene-3-carboxylate
CasNumber: 5751-80-4
MolecularFormula: C7H8O2S
MolecularWeight: 156.20221999999998
MdlNumber: MFCD02179226
Smiles: CCOC(=O)c1cscc1
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB74079
ChemicalName:
Ethyl thiophene-3-carboxylate
CasNumber:
5751-80-4
MolecularFormula:
C7H8O2S
MolecularWeight:
156.20221999999998
MdlNumber:
MFCD02179226
Smiles:
CCOC(=O)c1cscc1
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C(=C/C)/C
Complexity: 125
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C(=C/C)/C
Complexity:
125
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7