AB65707
874-83-9 | (3E)-4-(Thiophen-2-yl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB65707
ChemicalName
(3E)-4-(Thiophen-2-yl)but-3-en-2-one
CasNumber
874-83-9
MolecularFormula
C8H8OS
MolecularWeight
152.2135
MdlNumber
MFCD01116430
Smiles
CC(=O)C=Cc1cccs1
Complexity
151
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB65707
ChemicalName: (3E)-4-(Thiophen-2-yl)but-3-en-2-one
CasNumber: 874-83-9
MolecularFormula: C8H8OS
MolecularWeight: 152.2135
MdlNumber: MFCD01116430
Smiles: CC(=O)C=Cc1cccs1
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB65707
ChemicalName:
(3E)-4-(Thiophen-2-yl)but-3-en-2-one
CasNumber:
874-83-9
MolecularFormula:
C8H8OS
MolecularWeight:
152.2135
MdlNumber:
MFCD01116430
Smiles:
CC(=O)C=Cc1cccs1
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(C(F)(F)F)(F)F)(F)F)(CCSc1ccc(cc1)O)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(C(F)(F)F)(F)F)(F)F)(CCSc1ccc(cc1)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCSc1ccc(cc1)O)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCSc1ccc(cc1)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__