AB72058
91974-48-0 | Cinnamylidencyanothioacetamide
Manufacturer: A2B Chem
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CatalogNumber
AB72058
ChemicalName
Cinnamylidencyanothioacetamide
CasNumber
91974-48-0
MolecularFormula
C12H10N2S
MolecularWeight
214.2862
MdlNumber
MFCD00119186
Smiles
N#CC(=CC=Cc1ccccc1)C(=S)N
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedBondStereocenterCount
2
Xlogp3
2.4
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CatalogNumber: AB72058
ChemicalName: Cinnamylidencyanothioacetamide
CasNumber: 91974-48-0
MolecularFormula: C12H10N2S
MolecularWeight: 214.2862
MdlNumber: MFCD00119186
Smiles: N#CC(=CC=Cc1ccccc1)C(=S)N
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedBondStereocenterCount: 2
Xlogp3: 2.4
CatalogNumber:
AB72058
ChemicalName:
Cinnamylidencyanothioacetamide
CasNumber:
91974-48-0
MolecularFormula:
C12H10N2S
MolecularWeight:
214.2862
MdlNumber:
MFCD00119186
Smiles:
N#CC(=CC=Cc1ccccc1)C(=S)N
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedBondStereocenterCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)C=CC=Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)C=CC=Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=C/C=C/c1ccccc1)C(=O)O
Complexity: 306
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=C/C=C/c1ccccc1)C(=O)O
Complexity:
306
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__