AD12628
99180-11-7 | 2-(S-Ethylthiomethyl)-1-bromobenzene
Manufacturer: A2B Chem
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CatalogNumber
AD12628
ChemicalName
2-(S-Ethylthiomethyl)-1-bromobenzene
CasNumber
99180-11-7
MolecularFormula
C9H11BrS
MolecularWeight
231.1526
MdlNumber
MFCD14644600
Smiles
CCSCc1ccccc1Br
Complexity
106
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AD12628
ChemicalName: 2-(S-Ethylthiomethyl)-1-bromobenzene
CasNumber: 99180-11-7
MolecularFormula: C9H11BrS
MolecularWeight: 231.1526
MdlNumber: MFCD14644600
Smiles: CCSCc1ccccc1Br
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AD12628
ChemicalName:
2-(S-Ethylthiomethyl)-1-bromobenzene
CasNumber:
99180-11-7
MolecularFormula:
C9H11BrS
MolecularWeight:
231.1526
MdlNumber:
MFCD14644600
Smiles:
CCSCc1ccccc1Br
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: CCOC(=O)C1(CC(=O)C1)C(=O)OCC
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Smiles:
CCOC(=O)C1(CC(=O)C1)C(=O)OCC
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Smiles: CCCCCCCCCCCCCCCCCCS(=O)CCCCCCCCCCCCCCCCCC
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Smiles:
CCCCCCCCCCCCCCCCCCS(=O)CCCCCCCCCCCCCCCCCC
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Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)[C@H](O)C)Cc1ccccc1)[C@H](O)C)NC(=O)[C@@H]1CCC(=O)N1)C
Complexity: __
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Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)[C@H](O)C)Cc1ccccc1)[C@H](O)C)NC(=O)[C@@H]1CCC(=O)N1)C
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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