AI65779
98959-90-1 | 1-[4-(Methylsulfonyl)phenyl]ethanamine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI65779
ChemicalName
1-[4-(Methylsulfonyl)phenyl]ethanamine hydrochloride
CasNumber
98959-90-1
MolecularFormula
C9H14ClNO2S
MolecularWeight
235.731
MdlNumber
MFCD20669295
Smiles
CC(c1ccc(cc1)S(=O)(=O)C)N.Cl
Complexity
247
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI65779
ChemicalName: 1-[4-(Methylsulfonyl)phenyl]ethanamine hydrochloride
CasNumber: 98959-90-1
MolecularFormula: C9H14ClNO2S
MolecularWeight: 235.731
MdlNumber: MFCD20669295
Smiles: CC(c1ccc(cc1)S(=O)(=O)C)N.Cl
Complexity: 247
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI65779
ChemicalName:
1-[4-(Methylsulfonyl)phenyl]ethanamine hydrochloride
CasNumber:
98959-90-1
MolecularFormula:
C9H14ClNO2S
MolecularWeight:
235.731
MdlNumber:
MFCD20669295
Smiles:
CC(c1ccc(cc1)S(=O)(=O)C)N.Cl
Complexity:
247
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc([nH]c1=N)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc([nH]c1=N)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AI65782
ChemicalName: 2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CasNumber: 98968-28-6
MolecularFormula: C12H9ClN4S
MolecularWeight: 276.7447
MdlNumber: MFCD28992177
Smiles: Clc1ccn2c(n1)nc(n2)SCc1ccccc1
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI65782
ChemicalName:
2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CasNumber:
98968-28-6
MolecularFormula:
C12H9ClN4S
MolecularWeight:
276.7447
MdlNumber:
MFCD28992177
Smiles:
Clc1ccn2c(n1)nc(n2)SCc1ccccc1
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__