AC58784
81560-03-4 | 5-Bromo-2-methylsulfanylpyrimidin-4-ol
Manufacturer: A2B Chem
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CatalogNumber
AC58784
ChemicalName
5-Bromo-2-methylsulfanylpyrimidin-4-ol
CasNumber
81560-03-4
MolecularFormula
C5H5BrN2OS
MolecularWeight
221.075
MdlNumber
MFCD00848141
Smiles
CSc1ncc(c(=O)[nH]1)Br
NscNumber
46962
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AC58784
ChemicalName: 5-Bromo-2-methylsulfanylpyrimidin-4-ol
CasNumber: 81560-03-4
MolecularFormula: C5H5BrN2OS
MolecularWeight: 221.075
MdlNumber: MFCD00848141
Smiles: CSc1ncc(c(=O)[nH]1)Br
NscNumber: 46962
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AC58784
ChemicalName:
5-Bromo-2-methylsulfanylpyrimidin-4-ol
CasNumber:
81560-03-4
MolecularFormula:
C5H5BrN2OS
MolecularWeight:
221.075
MdlNumber:
MFCD00848141
Smiles:
CSc1ncc(c(=O)[nH]1)Br
NscNumber:
46962
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AC58788
ChemicalName: 5-Fluoro-2-methyl-1H-indole-3-carbaldehyde
CasNumber: 815586-68-6
MolecularFormula: C10H8FNO
MolecularWeight: 177.175
MdlNumber: MFCD07643210
Smiles: O=Cc1c(C)[nH]c2c1cc(F)cc2
NscNumber: __
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AC58788
ChemicalName:
5-Fluoro-2-methyl-1H-indole-3-carbaldehyde
CasNumber:
815586-68-6
MolecularFormula:
C10H8FNO
MolecularWeight:
177.175
MdlNumber:
MFCD07643210
Smiles:
O=Cc1c(C)[nH]c2c1cc(F)cc2
NscNumber:
__
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)OCCOCCOCCO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)OCCOCCOCCO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=CC1OC(O)(CC(C1C)OC1CC(O)C(C(O1)C)O)C(C(C(C1OC(=O)C(=CC(=CC(C)C(O)C(C(C(CC(=CC=CC1OC)C)C)O)CC)C)OC)C)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=CC1OC(O)(CC(C1C)OC1CC(O)C(C(O1)C)O)C(C(C(C1OC(=O)C(=CC(=CC(C)C(O)C(C(C(CC(=CC=CC1OC)C)C)O)CC)C)OC)C)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__