AD24676
4785-67-5 | Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AD24676
ChemicalName
Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
CasNumber
4785-67-5
MolecularFormula
C5H8O4S
MolecularWeight
164.1796
MdlNumber
MFCD22684985
Smiles
OC(=O)C1CCS(=O)(=O)C1
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.7
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CatalogNumber: AD24676
ChemicalName: Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
CasNumber: 4785-67-5
MolecularFormula: C5H8O4S
MolecularWeight: 164.1796
MdlNumber: MFCD22684985
Smiles: OC(=O)C1CCS(=O)(=O)C1
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.7
CatalogNumber:
AD24676
ChemicalName:
Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
CasNumber:
4785-67-5
MolecularFormula:
C5H8O4S
MolecularWeight:
164.1796
MdlNumber:
MFCD22684985
Smiles:
OC(=O)C1CCS(=O)(=O)C1
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)OCC
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)OCC
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=Cc1ccc(cc1C(=O)O)Br
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
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Smiles:
O=Cc1ccc(cc1C(=O)O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OCC1OC(C(C1C(C1OC(C(C1O)O)n1ccc(nc1=O)N)OP(=O)(O)[O-])O)n1cnc2c1[nH]c(N)nc2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(C(C1C(C1OC(C(C1O)O)n1ccc(nc1=O)N)OP(=O)(O)[O-])O)n1cnc2c1[nH]c(N)nc2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__