AB40299
30519-03-0 | 4-(Benzylsulfanyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AB40299
ChemicalName
4-(Benzylsulfanyl)phenol
CasNumber
30519-03-0
MolecularFormula
C13H12OS
MolecularWeight
216.2988
MdlNumber
MFCD12819458
Smiles
Oc1ccc(cc1)SCc1ccccc1
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AB40299
ChemicalName: 4-(Benzylsulfanyl)phenol
CasNumber: 30519-03-0
MolecularFormula: C13H12OS
MolecularWeight: 216.2988
MdlNumber: MFCD12819458
Smiles: Oc1ccc(cc1)SCc1ccccc1
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AB40299
ChemicalName:
4-(Benzylsulfanyl)phenol
CasNumber:
30519-03-0
MolecularFormula:
C13H12OS
MolecularWeight:
216.2988
MdlNumber:
MFCD12819458
Smiles:
Oc1ccc(cc1)SCc1ccccc1
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
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RotatableBondCount:
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Smiles: Cn1ccnc1C(c1ccccc1)O
Complexity: __
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Smiles:
Cn1ccnc1C(c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Complexity: 484
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Complexity:
484
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__