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AA60047

13920-91-7 | 2-(Ethylsulfanyl)aniline

Manufacturer: A2B Chem

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CatalogNumber

AA60047

ChemicalName

2-(Ethylsulfanyl)aniline

CasNumber

13920-91-7

MolecularFormula

C8H11NS

MolecularWeight

153.2446

MdlNumber

MFCD08691983

Smiles

CCSc1ccccc1N

Complexity

95.3

Covalently-bondedUnitCount

1

HeavyAtomCount

10

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

RotatableBondCount

2

Xlogp3

2.1

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A2B Chem

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CatalogNumber:

AA60047

ChemicalName:

2-(Ethylsulfanyl)aniline

CasNumber:

13920-91-7

MolecularFormula:

C8H11NS

MolecularWeight:

153.2446

MdlNumber:

MFCD08691983

Smiles:

CCSc1ccccc1N

Complexity:

95.3

Covalently-bondedUnitCount:

1

HeavyAtomCount:

10

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

1

RotatableBondCount:

2

Xlogp3:

2.1

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)OC)O)C

Complexity:

1110

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

__

Xlogp3:

0.5

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

COc1cc(cc(c1)OC)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

COC1=CC=CC(=C1)C2CNCC2C(=O)O.Cl

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__