AD06416
68399-80-4 | DIPSO
Manufacturer: A2B Chem
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CatalogNumber
AD06416
ChemicalName
DIPSO
CasNumber
68399-80-4
MolecularFormula
C7H17NO6S
MolecularWeight
243.278
MdlNumber
MFCD00038353
Smiles
OCCN(CC(CS(=O)(=O)O)O)CCO
NscNumber
378145
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
-5.1
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CatalogNumber: AD06416
ChemicalName: DIPSO
CasNumber: 68399-80-4
MolecularFormula: C7H17NO6S
MolecularWeight: 243.278
MdlNumber: MFCD00038353
Smiles: OCCN(CC(CS(=O)(=O)O)O)CCO
NscNumber: 378145
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: -5.1
CatalogNumber:
AD06416
ChemicalName:
DIPSO
CasNumber:
68399-80-4
MolecularFormula:
C7H17NO6S
MolecularWeight:
243.278
MdlNumber:
MFCD00038353
Smiles:
OCCN(CC(CS(=O)(=O)O)O)CCO
NscNumber:
378145
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
-5.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(NCC(CS(=O)(=O)O)O)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OCC(NCC(CS(=O)(=O)O)O)(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1cnc(o1)C
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1ccc(cc1)c1cnc(o1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Nc1[nH]n(c(=O)n1)c1ccc2c(n1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Nc1[nH]n(c(=O)n1)c1ccc2c(n1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__