AG66619
64096-87-3 | Tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AG66619
ChemicalName
Tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide
CasNumber
64096-87-3
MolecularFormula
C6H10O4S
MolecularWeight
178.2062
MdlNumber
MFCD03102802
Smiles
OC(=O)C1CCS(=O)(=O)CC1
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.4
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CatalogNumber: AG66619
ChemicalName: Tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide
CasNumber: 64096-87-3
MolecularFormula: C6H10O4S
MolecularWeight: 178.2062
MdlNumber: MFCD03102802
Smiles: OC(=O)C1CCS(=O)(=O)CC1
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.4
CatalogNumber:
AG66619
ChemicalName:
Tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide
CasNumber:
64096-87-3
MolecularFormula:
C6H10O4S
MolecularWeight:
178.2062
MdlNumber:
MFCD03102802
Smiles:
OC(=O)C1CCS(=O)(=O)CC1
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CC1=CC=C(C=C1)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CC1=CC=C(C=C1)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [S-]c1sc(=S)n(n1)c1ccccc1.[K+]
Complexity: 251
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[S-]c1sc(=S)n(n1)c1ccccc1.[K+]
Complexity:
251
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66622
ChemicalName: Ethyl 4-formylbenzoate
CasNumber: 6287-86-1
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00460463
Smiles: CCOC(=O)c1ccc(cc1)C=O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AG66622
ChemicalName:
Ethyl 4-formylbenzoate
CasNumber:
6287-86-1
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00460463
Smiles:
CCOC(=O)c1ccc(cc1)C=O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.3