AC68672
67003-48-9 | 4-[(Methylsulfanyl)methyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC68672
ChemicalName
4-[(Methylsulfanyl)methyl]benzoic acid
CasNumber
67003-48-9
MolecularFormula
C9H10O2S
MolecularWeight
182.2395
MdlNumber
MFCD06373463
Smiles
CSCc1ccc(cc1)C(=O)O
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AC68672
ChemicalName: 4-[(Methylsulfanyl)methyl]benzoic acid
CasNumber: 67003-48-9
MolecularFormula: C9H10O2S
MolecularWeight: 182.2395
MdlNumber: MFCD06373463
Smiles: CSCc1ccc(cc1)C(=O)O
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AC68672
ChemicalName:
4-[(Methylsulfanyl)methyl]benzoic acid
CasNumber:
67003-48-9
MolecularFormula:
C9H10O2S
MolecularWeight:
182.2395
MdlNumber:
MFCD06373463
Smiles:
CSCc1ccc(cc1)C(=O)O
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: ON=Cc1cc(C=NO)cc(c1)C=NO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ON=Cc1cc(C=NO)cc(c1)C=NO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Clc1cccc2n1c1nccn1n2
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1cccc2n1c1nccn1n2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: NN(C(=O)C(C)(C)C)c1cccc(n1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NN(C(=O)C(C)(C)C)c1cccc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__