AB44729
1073-72-9 | 4-(Methylthio)phenol
Manufacturer: A2B Chem
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CatalogNumber
AB44729
ChemicalName
4-(Methylthio)phenol
CasNumber
1073-72-9
MolecularFormula
C7H8OS
MolecularWeight
140.2028
MdlNumber
MFCD00002351
Smiles
CSc1ccc(cc1)O
NscNumber
75840
Complexity
77
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AB44729
ChemicalName: 4-(Methylthio)phenol
CasNumber: 1073-72-9
MolecularFormula: C7H8OS
MolecularWeight: 140.2028
MdlNumber: MFCD00002351
Smiles: CSc1ccc(cc1)O
NscNumber: 75840
Complexity: 77
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB44729
ChemicalName:
4-(Methylthio)phenol
CasNumber:
1073-72-9
MolecularFormula:
C7H8OS
MolecularWeight:
140.2028
MdlNumber:
MFCD00002351
Smiles:
CSc1ccc(cc1)O
NscNumber:
75840
Complexity:
77
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)B(O)O
NscNumber: __
Complexity: 113
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc(cc1)B(O)O
NscNumber:
__
Complexity:
113
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44731
ChemicalName: 4-(Morpholine-4-carbonyl)phenylboronic acid, pinacol ester
CasNumber: 656239-38-2
MolecularFormula: C17H24BNO4
MolecularWeight: 317.1878
MdlNumber: MFCD05863913
Smiles: O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
NscNumber: __
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB44731
ChemicalName:
4-(Morpholine-4-carbonyl)phenylboronic acid, pinacol ester
CasNumber:
656239-38-2
MolecularFormula:
C17H24BNO4
MolecularWeight:
317.1878
MdlNumber:
MFCD05863913
Smiles:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
NscNumber:
__
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB44732
ChemicalName: 4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
CasNumber: 37793-53-6
MolecularFormula: C16H11F3N6O4
MolecularWeight: 408.2915
MdlNumber: MFCD00006707
Smiles: O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
NscNumber: __
Complexity: 707
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB44732
ChemicalName:
4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
CasNumber:
37793-53-6
MolecularFormula:
C16H11F3N6O4
MolecularWeight:
408.2915
MdlNumber:
MFCD00006707
Smiles:
O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
NscNumber:
__
Complexity:
707
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
0.2