AG72760
6302-65-4 | Methyl 4-sulfanylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG72760
ChemicalName
Methyl 4-sulfanylbenzoate
CasNumber
6302-65-4
MolecularFormula
C8H8O2S
MolecularWeight
168.2129
MdlNumber
MFCD01863423
Smiles
COC(=O)c1ccc(cc1)S
NscNumber
41242
Complexity
139
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AG72760
ChemicalName: Methyl 4-sulfanylbenzoate
CasNumber: 6302-65-4
MolecularFormula: C8H8O2S
MolecularWeight: 168.2129
MdlNumber: MFCD01863423
Smiles: COC(=O)c1ccc(cc1)S
NscNumber: 41242
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AG72760
ChemicalName:
Methyl 4-sulfanylbenzoate
CasNumber:
6302-65-4
MolecularFormula:
C8H8O2S
MolecularWeight:
168.2129
MdlNumber:
MFCD01863423
Smiles:
COC(=O)c1ccc(cc1)S
NscNumber:
41242
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
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Smiles: CCCCCc1ccc(cc1)C(=O)c1ccccc1Br
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCc1ccc(cc1)C(=O)c1ccccc1Br
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__
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Smiles: COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)OCC(=O)[C@@]1(O)C[C@H](O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
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HydrogenBondDonorCount: __
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Smiles:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)OCC(=O)[C@@]1(O)C[C@H](O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: C(C(C(C=O)O)O)OP(=O)(O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(C(C(C=O)O)O)OP(=O)(O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__