AB69196
89487-99-0 | 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB69196
ChemicalName
2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber
89487-99-0
MolecularFormula
C6H5N3OS
MolecularWeight
167.1884
MdlNumber
MFCD00831720
Smiles
CSc1ncc(c(=O)[nH]1)C#N
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AB69196
ChemicalName: 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber: 89487-99-0
MolecularFormula: C6H5N3OS
MolecularWeight: 167.1884
MdlNumber: MFCD00831720
Smiles: CSc1ncc(c(=O)[nH]1)C#N
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB69196
ChemicalName:
2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber:
89487-99-0
MolecularFormula:
C6H5N3OS
MolecularWeight:
167.1884
MdlNumber:
MFCD00831720
Smiles:
CSc1ncc(c(=O)[nH]1)C#N
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AB69197
ChemicalName: 5-Cyanonicotinic acid
CasNumber: 887579-62-6
MolecularFormula: C7H4N2O2
MolecularWeight: 148.1189
MdlNumber: MFCD07367904
Smiles: N#Cc1cncc(c1)C(=O)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB69197
ChemicalName:
5-Cyanonicotinic acid
CasNumber:
887579-62-6
MolecularFormula:
C7H4N2O2
MolecularWeight:
148.1189
MdlNumber:
MFCD07367904
Smiles:
N#Cc1cncc(c1)C(=O)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCCCCCCCCC=CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCCCCCCCCC=CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69199
ChemicalName: 5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
CasNumber: 442571-86-0
MolecularFormula: C14H15N3O3
MolecularWeight: 273.2872
MdlNumber: MFCD04208216
Smiles: [O-][N+](=O)c1cccc(c1)c1noc(n1)C1CCCCC1
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AB69199
ChemicalName:
5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
CasNumber:
442571-86-0
MolecularFormula:
C14H15N3O3
MolecularWeight:
273.2872
MdlNumber:
MFCD04208216
Smiles:
[O-][N+](=O)c1cccc(c1)c1noc(n1)C1CCCCC1
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.8