AI51527
51392-54-2 | Methyl(3-nitrobenzyl)sulfane
Manufacturer: A2B Chem
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CatalogNumber
AI51527
ChemicalName
Methyl(3-nitrobenzyl)sulfane
CasNumber
51392-54-2
MolecularFormula
C8H9NO2S
MolecularWeight
183.2276
MdlNumber
MFCD29059356
Smiles
CSCc1cccc(c1)[N+](=O)[O-]
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI51527
ChemicalName: Methyl(3-nitrobenzyl)sulfane
CasNumber: 51392-54-2
MolecularFormula: C8H9NO2S
MolecularWeight: 183.2276
MdlNumber: MFCD29059356
Smiles: CSCc1cccc(c1)[N+](=O)[O-]
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI51527
ChemicalName:
Methyl(3-nitrobenzyl)sulfane
CasNumber:
51392-54-2
MolecularFormula:
C8H9NO2S
MolecularWeight:
183.2276
MdlNumber:
MFCD29059356
Smiles:
CSCc1cccc(c1)[N+](=O)[O-]
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
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MolecularFormula: __
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Smiles: C1CNC2C(C1)NC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1CNC2C(C1)NC2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: COc1cccc(c1)C1(CCC(=O)CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cccc(c1)C1(CCC(=O)CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__