AG16701
54346-18-8 | 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
Manufacturer: A2B Chem
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CatalogNumber
AG16701
ChemicalName
2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
CasNumber
54346-18-8
MolecularFormula
C6H6N4OS
MolecularWeight
182.203
MdlNumber
MFCD00661935
Smiles
CSc1nc(=O)n2c([nH]1)ccn2
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AG16701
ChemicalName: 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
CasNumber: 54346-18-8
MolecularFormula: C6H6N4OS
MolecularWeight: 182.203
MdlNumber: MFCD00661935
Smiles: CSc1nc(=O)n2c([nH]1)ccn2
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AG16701
ChemicalName:
2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
CasNumber:
54346-18-8
MolecularFormula:
C6H6N4OS
MolecularWeight:
182.203
MdlNumber:
MFCD00661935
Smiles:
CSc1nc(=O)n2c([nH]1)ccn2
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AG16703
ChemicalName: 2-Bromo-4-formylthiazole
CasNumber: 5198-80-1
MolecularFormula: C4H2BrNOS
MolecularWeight: 192.0338
MdlNumber: MFCD04115726
Smiles: Brc1nc(cs1)C=O
Complexity: 100
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AG16703
ChemicalName:
2-Bromo-4-formylthiazole
CasNumber:
5198-80-1
MolecularFormula:
C4H2BrNOS
MolecularWeight:
192.0338
MdlNumber:
MFCD04115726
Smiles:
Brc1nc(cs1)C=O
Complexity:
100
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AG16704
ChemicalName: 2-Chloro-4-(chloromethyl)thiazole
CasNumber: 5198-76-5
MolecularFormula: C4H3Cl2NS
MolecularWeight: 168.04432
MdlNumber: MFCD09265510
Smiles: ClCc1csc(n1)Cl
Complexity: 80.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AG16704
ChemicalName:
2-Chloro-4-(chloromethyl)thiazole
CasNumber:
5198-76-5
MolecularFormula:
C4H3Cl2NS
MolecularWeight:
168.04432
MdlNumber:
MFCD09265510
Smiles:
ClCc1csc(n1)Cl
Complexity:
80.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)n1c(I)cc2c1nccc2Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1c(I)cc2c1nccc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__