AB30278
263157-05-7 | 5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Manufacturer: A2B Chem
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CatalogNumber
AB30278
ChemicalName
5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CasNumber
263157-05-7
MolecularFormula
C8H10N4S2
MolecularWeight
226.3218
MdlNumber
MFCD00728556
Smiles
Cc1nc(c(s1)c1n[nH]c(=S)n1C)C
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB30278
ChemicalName: 5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CasNumber: 263157-05-7
MolecularFormula: C8H10N4S2
MolecularWeight: 226.3218
MdlNumber: MFCD00728556
Smiles: Cc1nc(c(s1)c1n[nH]c(=S)n1C)C
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB30278
ChemicalName:
5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CasNumber:
263157-05-7
MolecularFormula:
C8H10N4S2
MolecularWeight:
226.3218
MdlNumber:
MFCD00728556
Smiles:
Cc1nc(c(s1)c1n[nH]c(=S)n1C)C
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1O)N)C(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1O)N)C(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1O)NC(=O)C)C(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1O)NC(=O)C)C(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB30281
ChemicalName: 4-Chloro-7-hydroxy-6-methoxyquinoline-3-carbonitrile
CasNumber: 263149-10-6
MolecularFormula: C11H7ClN2O2
MolecularWeight: 234.6385
MdlNumber: MFCD09833973
Smiles: COc1cc2c(cc1O)ncc(c2Cl)C#N
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB30281
ChemicalName:
4-Chloro-7-hydroxy-6-methoxyquinoline-3-carbonitrile
CasNumber:
263149-10-6
MolecularFormula:
C11H7ClN2O2
MolecularWeight:
234.6385
MdlNumber:
MFCD09833973
Smiles:
COc1cc2c(cc1O)ncc(c2Cl)C#N
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2