AA97491
18212-21-0 | 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA97491
ChemicalName
4-Methyl-1,2,3-thiadiazole-5-carboxylic acid
CasNumber
18212-21-0
MolecularFormula
C4H4N2O2S
MolecularWeight
144.1518
MdlNumber
MFCD00173830
Smiles
OC(=O)c1snnc1C
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AA97491
ChemicalName: 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid
CasNumber: 18212-21-0
MolecularFormula: C4H4N2O2S
MolecularWeight: 144.1518
MdlNumber: MFCD00173830
Smiles: OC(=O)c1snnc1C
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AA97491
ChemicalName:
4-Methyl-1,2,3-thiadiazole-5-carboxylic acid
CasNumber:
18212-21-0
MolecularFormula:
C4H4N2O2S
MolecularWeight:
144.1518
MdlNumber:
MFCD00173830
Smiles:
OC(=O)c1snnc1C
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1snnc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1snnc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA97495
ChemicalName: 2-(4-Nitrophenyl)benzoic acid
CasNumber: 18211-41-1
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD00445193
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA97495
ChemicalName:
2-(4-Nitrophenyl)benzoic acid
CasNumber:
18211-41-1
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD00445193
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(cc1)NCc1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(cc1)NCc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__