AD42385
3704-28-7 | Methyl 2-(methylthio)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD42385
ChemicalName
Methyl 2-(methylthio)benzoate
CasNumber
3704-28-7
MolecularFormula
C9H10O2S
MolecularWeight
182.2395
MdlNumber
MFCD00068039
Smiles
COC(=O)c1ccccc1SC
NscNumber
130740
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AD42385
ChemicalName: Methyl 2-(methylthio)benzoate
CasNumber: 3704-28-7
MolecularFormula: C9H10O2S
MolecularWeight: 182.2395
MdlNumber: MFCD00068039
Smiles: COC(=O)c1ccccc1SC
NscNumber: 130740
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AD42385
ChemicalName:
Methyl 2-(methylthio)benzoate
CasNumber:
3704-28-7
MolecularFormula:
C9H10O2S
MolecularWeight:
182.2395
MdlNumber:
MFCD00068039
Smiles:
COC(=O)c1ccccc1SC
NscNumber:
130740
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: c1ccc2c(c1)nc1c(c2)cccc1.Br
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
c1ccc2c(c1)nc1c(c2)cccc1.Br
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Smiles: O=C(OC(C)(C)C)NCCc1ccc(c(c1)O)O
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Smiles:
O=C(OC(C)(C)C)NCCc1ccc(c(c1)O)O
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: OC(=O)Nc1ccccc1.OCC(F)(F)F
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Nc1ccccc1.OCC(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__