AI47452
3193-51-9 | 3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI47452
ChemicalName
3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
CasNumber
3193-51-9
MolecularFormula
C5H12ClNO2S
MolecularWeight
185.67228
MdlNumber
MFCD00195963
Smiles
NCC1CCS(=O)(=O)C1.Cl
Complexity
180
Covalently-bondedUnitCount
2
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI47452
ChemicalName: 3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
CasNumber: 3193-51-9
MolecularFormula: C5H12ClNO2S
MolecularWeight: 185.67228
MdlNumber: MFCD00195963
Smiles: NCC1CCS(=O)(=O)C1.Cl
Complexity: 180
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI47452
ChemicalName:
3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
CasNumber:
3193-51-9
MolecularFormula:
C5H12ClNO2S
MolecularWeight:
185.67228
MdlNumber:
MFCD00195963
Smiles:
NCC1CCS(=O)(=O)C1.Cl
Complexity:
180
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)CC1CN(C1)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCOC(=O)CC1CN(C1)C(=O)OCc1ccccc1
Complexity:
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Smiles: COc1ccccc1OCCSc1nc2c([nH]1)cccc2
Complexity: __
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Smiles:
COc1ccccc1OCCSc1nc2c([nH]1)cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCC(C(=O)OC)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCC(C(=O)OC)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__