AA91498
173281-01-1 | 2-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA91498
ChemicalName
2-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
CasNumber
173281-01-1
MolecularFormula
C10H13NO2S2
MolecularWeight
243.3457
MdlNumber
MFCD06368756
Smiles
CCOC(=O)c1c(N)sc2c1CCSC2
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA91498
ChemicalName: 2-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
CasNumber: 173281-01-1
MolecularFormula: C10H13NO2S2
MolecularWeight: 243.3457
MdlNumber: MFCD06368756
Smiles: CCOC(=O)c1c(N)sc2c1CCSC2
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA91498
ChemicalName:
2-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
CasNumber:
173281-01-1
MolecularFormula:
C10H13NO2S2
MolecularWeight:
243.3457
MdlNumber:
MFCD06368756
Smiles:
CCOC(=O)c1c(N)sc2c1CCSC2
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: ClCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
ClCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: OCCN1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN1C(=O)c2c(C1=O)ccc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__