AC36265
80548-40-9 | Tetrahydrothiophene-2-carboxylic acid 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AC36265
ChemicalName
Tetrahydrothiophene-2-carboxylic acid 1,1-dioxide
CasNumber
80548-40-9
MolecularFormula
C5H8O4S
MolecularWeight
164.1796
MdlNumber
MFCD20621123
Smiles
OC(=O)C1CCCS1(=O)=O
NscNumber
140355
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AC36265
ChemicalName: Tetrahydrothiophene-2-carboxylic acid 1,1-dioxide
CasNumber: 80548-40-9
MolecularFormula: C5H8O4S
MolecularWeight: 164.1796
MdlNumber: MFCD20621123
Smiles: OC(=O)C1CCCS1(=O)=O
NscNumber: 140355
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AC36265
ChemicalName:
Tetrahydrothiophene-2-carboxylic acid 1,1-dioxide
CasNumber:
80548-40-9
MolecularFormula:
C5H8O4S
MolecularWeight:
164.1796
MdlNumber:
MFCD20621123
Smiles:
OC(=O)C1CCCS1(=O)=O
NscNumber:
140355
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC(CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC(C)C)CC(C)C)CC(C)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CC(CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC(C)C)CC(C)C)CC(C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CO/N=C(/c1csc(n1)N)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CO/N=C(/c1csc(n1)N)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1scc(n1)/C(=N/OC(C(=O)OC(c1ccccc1)c1ccccc1)(C)C)/C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1scc(n1)/C(=N/OC(C(=O)OC(c1ccccc1)c1ccccc1)(C)C)/C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__