AB54456
107869-45-4 | (3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AB54456
ChemicalName
(3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CasNumber
107869-45-4
MolecularFormula
C10H15NO2S
MolecularWeight
213.2966
MdlNumber
MFCD00064576
Smiles
O=S1(=O)N=C2[C@@]3(C1)CC[C@@H](C2)C3(C)C
Complexity
430
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
Xlogp3
1.1
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CatalogNumber: AB54456
ChemicalName: (3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CasNumber: 107869-45-4
MolecularFormula: C10H15NO2S
MolecularWeight: 213.2966
MdlNumber: MFCD00064576
Smiles: O=S1(=O)N=C2[C@@]3(C1)CC[C@@H](C2)C3(C)C
Complexity: 430
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
Xlogp3: 1.1
CatalogNumber:
AB54456
ChemicalName:
(3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CasNumber:
107869-45-4
MolecularFormula:
C10H15NO2S
MolecularWeight:
213.2966
MdlNumber:
MFCD00064576
Smiles:
O=S1(=O)N=C2[C@@]3(C1)CC[C@@H](C2)C3(C)C
Complexity:
430
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)CN1C[C@@H]2[C@@H](C1)P([Rh+]134(P2(c2ccccc2)c2ccccc2)[CH]2=[CH]4CC[CH]1=[CH]3CC2)(c1ccccc1)c1ccccc1.[F-][B+3]([F-])([F-])[F-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)CN1C[C@@H]2[C@@H](C1)P([Rh+]134(P2(c2ccccc2)c2ccccc2)[CH]2=[CH]4CC[CH]1=[CH]3CC2)(c1ccccc1)c1ccccc1.[F-][B+3]([F-])([F-])[F-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1OC(=O)C2C1OC1(O2)CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1OC(=O)C2C1OC1(O2)CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]1OC(O[C@H]1CO)(C)C
Complexity: 120
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]1OC(O[C@H]1CO)(C)C
Complexity:
120
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
-0.8