AF36748
21213-10-5 | 2-(Propylsulfanyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36748
ChemicalName
2-(Propylsulfanyl)benzoic acid
CasNumber
21213-10-5
MolecularFormula
C10H12O2S
MolecularWeight
196.2661
MdlNumber
MFCD02729229
Smiles
CCCSc1ccccc1C(=O)O
NscNumber
100939
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AF36748
ChemicalName: 2-(Propylsulfanyl)benzoic acid
CasNumber: 21213-10-5
MolecularFormula: C10H12O2S
MolecularWeight: 196.2661
MdlNumber: MFCD02729229
Smiles: CCCSc1ccccc1C(=O)O
NscNumber: 100939
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AF36748
ChemicalName:
2-(Propylsulfanyl)benzoic acid
CasNumber:
21213-10-5
MolecularFormula:
C10H12O2S
MolecularWeight:
196.2661
MdlNumber:
MFCD02729229
Smiles:
CCCSc1ccccc1C(=O)O
NscNumber:
100939
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: AF36749
ChemicalName: Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber: 222986-49-4
MolecularFormula: C13H12N2O2
MolecularWeight: 228.2466
MdlNumber: MFCD06802149
Smiles: COC(=O)c1ccc(cc1)c1ccc(nc1)N
NscNumber: __
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AF36749
ChemicalName:
Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber:
222986-49-4
MolecularFormula:
C13H12N2O2
MolecularWeight:
228.2466
MdlNumber:
MFCD06802149
Smiles:
COC(=O)c1ccc(cc1)c1ccc(nc1)N
NscNumber:
__
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF36750
ChemicalName: 5-Methylsulfonyltetrazole
CasNumber: 21744-55-8
MolecularFormula: C2H4N4O2S
MolecularWeight: 148.1438
MdlNumber: MFCD07432800
Smiles: CS(=O)(=O)c1nnn[nH]1
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -1
CatalogNumber:
AF36750
ChemicalName:
5-Methylsulfonyltetrazole
CasNumber:
21744-55-8
MolecularFormula:
C2H4N4O2S
MolecularWeight:
148.1438
MdlNumber:
MFCD07432800
Smiles:
CS(=O)(=O)c1nnn[nH]1
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-1