AF87907
380335-54-6 | 4-(3-Chloro-2-methyl-phenyl)-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
Manufacturer: A2B Chem
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CatalogNumber
AF87907
ChemicalName
4-(3-Chloro-2-methyl-phenyl)-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
CasNumber
380335-54-6
MolecularFormula
C14H11ClN4S
MolecularWeight
302.7819
MdlNumber
MFCD02724835
Smiles
Sc1nnc(n1c1cccc(c1C)Cl)c1ccncc1
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AF87907
ChemicalName: 4-(3-Chloro-2-methyl-phenyl)-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
CasNumber: 380335-54-6
MolecularFormula: C14H11ClN4S
MolecularWeight: 302.7819
MdlNumber: MFCD02724835
Smiles: Sc1nnc(n1c1cccc(c1C)Cl)c1ccncc1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AF87907
ChemicalName:
4-(3-Chloro-2-methyl-phenyl)-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
CasNumber:
380335-54-6
MolecularFormula:
C14H11ClN4S
MolecularWeight:
302.7819
MdlNumber:
MFCD02724835
Smiles:
Sc1nnc(n1c1cccc(c1C)Cl)c1ccncc1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(=O)n(c1)C
Complexity: 195
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(=O)n(c1)C
Complexity:
195
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AF87910
ChemicalName: 4-(Thiophen-2-ylmethyl)morpholine
CasNumber: 338454-48-1
MolecularFormula: C9H13NOS
MolecularWeight: 183.2706
MdlNumber: MFCD01309097
Smiles: O1CCN(CC1)Cc1cccs1
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AF87910
ChemicalName:
4-(Thiophen-2-ylmethyl)morpholine
CasNumber:
338454-48-1
MolecularFormula:
C9H13NOS
MolecularWeight:
183.2706
MdlNumber:
MFCD01309097
Smiles:
O1CCN(CC1)Cc1cccs1
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AF87911
ChemicalName: 1-(3-Trifluoromethylphenyl)ethanamine HCl
CasNumber: 3803-25-6
MolecularFormula: C9H11ClF3N
MolecularWeight: 225.63854959999998
MdlNumber: MFCD22421524
Smiles: CC(c1cccc(c1)C(F)(F)F)N.Cl
Complexity: 167
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF87911
ChemicalName:
1-(3-Trifluoromethylphenyl)ethanamine HCl
CasNumber:
3803-25-6
MolecularFormula:
C9H11ClF3N
MolecularWeight:
225.63854959999998
MdlNumber:
MFCD22421524
Smiles:
CC(c1cccc(c1)C(F)(F)F)N.Cl
Complexity:
167
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__