AB63027
112811-90-2 | 2-(Benzylthio)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63027
ChemicalName
2-(Benzylthio)nicotinic acid
CasNumber
112811-90-2
MolecularFormula
C13H11NO2S
MolecularWeight
245.2969
MdlNumber
MFCD00661380
Smiles
OC(=O)c1cccnc1SCc1ccccc1
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AB63027
ChemicalName: 2-(Benzylthio)nicotinic acid
CasNumber: 112811-90-2
MolecularFormula: C13H11NO2S
MolecularWeight: 245.2969
MdlNumber: MFCD00661380
Smiles: OC(=O)c1cccnc1SCc1ccccc1
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AB63027
ChemicalName:
2-(Benzylthio)nicotinic acid
CasNumber:
112811-90-2
MolecularFormula:
C13H11NO2S
MolecularWeight:
245.2969
MdlNumber:
MFCD00661380
Smiles:
OC(=O)c1cccnc1SCc1ccccc1
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: AB63028
ChemicalName: 2-Thiohydantoin
CasNumber: 503-87-7
MolecularFormula: C3H4N2OS
MolecularWeight: 116.1417
MdlNumber: MFCD00005277
Smiles: O=C1CNC(=S)N1
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -1.1
CatalogNumber:
AB63028
ChemicalName:
2-Thiohydantoin
CasNumber:
503-87-7
MolecularFormula:
C3H4N2OS
MolecularWeight:
116.1417
MdlNumber:
MFCD00005277
Smiles:
O=C1CNC(=S)N1
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CNC(CN1)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CNC(CN1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CNC(CN1)c1cscc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CNC(CN1)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__