AG67422
58379-80-9 | 1-Methyl-1-tosylmethyl isocyanide
Manufacturer: A2B Chem
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CatalogNumber
AG67422
ChemicalName
1-Methyl-1-tosylmethyl isocyanide
CasNumber
58379-80-9
MolecularFormula
C10H11NO2S
MolecularWeight
209.26484
MdlNumber
MFCD05664017
Smiles
CC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AG67422
ChemicalName: 1-Methyl-1-tosylmethyl isocyanide
CasNumber: 58379-80-9
MolecularFormula: C10H11NO2S
MolecularWeight: 209.26484
MdlNumber: MFCD05664017
Smiles: CC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AG67422
ChemicalName:
1-Methyl-1-tosylmethyl isocyanide
CasNumber:
58379-80-9
MolecularFormula:
C10H11NO2S
MolecularWeight:
209.26484
MdlNumber:
MFCD05664017
Smiles:
CC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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Smiles: O=Cc1ccc2c(c1)cnn2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=Cc1ccc2c(c1)cnn2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CC1(O)CCCCCCC1
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Smiles:
CC1(O)CCCCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCC(CCc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCC(CCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__