AG18615
53287-53-9 | (1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt
Manufacturer: A2B Chem
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CatalogNumber
AG18615
ChemicalName
(1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt
CasNumber
53287-53-9
MolecularFormula
C5H12ClNO2S
MolecularWeight
185.6723
MdlNumber
MFCD00456571
Smiles
CNC1CCS(=O)(=O)C1.Cl
Complexity
180
Covalently-bondedUnitCount
2
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AG18615
ChemicalName: (1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt
CasNumber: 53287-53-9
MolecularFormula: C5H12ClNO2S
MolecularWeight: 185.6723
MdlNumber: MFCD00456571
Smiles: CNC1CCS(=O)(=O)C1.Cl
Complexity: 180
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AG18615
ChemicalName:
(1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt
CasNumber:
53287-53-9
MolecularFormula:
C5H12ClNO2S
MolecularWeight:
185.6723
MdlNumber:
MFCD00456571
Smiles:
CNC1CCS(=O)(=O)C1.Cl
Complexity:
180
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC=C(C=C1)CNC2CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC1=CC=C(C=C1)CNC2CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: COc1ccc(cc1)CNCc1ccccc1OC.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)CNCc1ccccc1OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1(CCCC1)S(=O)(=O)c1ccc(c(c1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1(CCCC1)S(=O)(=O)c1ccc(c(c1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__