AI46432
27999-97-9 | Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AI46432
ChemicalName
Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate
CasNumber
27999-97-9
MolecularFormula
C12H16O3S2
MolecularWeight
272.3836
MdlNumber
MFCD23143174
Smiles
Cc1ccc(cc1)S(=O)(=O)OC1CCSCC1
NscNumber
112808
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AI46432
ChemicalName: Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate
CasNumber: 27999-97-9
MolecularFormula: C12H16O3S2
MolecularWeight: 272.3836
MdlNumber: MFCD23143174
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CCSCC1
NscNumber: 112808
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI46432
ChemicalName:
Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate
CasNumber:
27999-97-9
MolecularFormula:
C12H16O3S2
MolecularWeight:
272.3836
MdlNumber:
MFCD23143174
Smiles:
Cc1ccc(cc1)S(=O)(=O)OC1CCSCC1
NscNumber:
112808
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AI46433
ChemicalName: Sulbenicillin sodium
CasNumber: 28002-18-8
MolecularFormula: C16H16N2Na2O7S2
MolecularWeight: 458.417
MdlNumber: MFCD01682086
Smiles: O=C(C(S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
NscNumber: __
Complexity: __
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Xlogp3: __
CatalogNumber:
AI46433
ChemicalName:
Sulbenicillin sodium
CasNumber:
28002-18-8
MolecularFormula:
C16H16N2Na2O7S2
MolecularWeight:
458.417
MdlNumber:
MFCD01682086
Smiles:
O=C(C(S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1ccccc1c1nnc(s1)N
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Smiles:
COc1ccccc1c1nnc(s1)N
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(cc(c1OC)OC)c1nnc(s1)N
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Complexity: __
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HeavyAtomCount: __
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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:
COc1cc(cc(c1OC)OC)c1nnc(s1)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__