AA60046
13920-98-4 | 5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
Manufacturer: A2B Chem
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CatalogNumber
AA60046
ChemicalName
5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
CasNumber
13920-98-4
MolecularFormula
C8H7NO4S
MolecularWeight
213.2105
MdlNumber
MFCD02682984
Smiles
O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)C
Complexity
345
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AA60046
ChemicalName: 5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
CasNumber: 13920-98-4
MolecularFormula: C8H7NO4S
MolecularWeight: 213.2105
MdlNumber: MFCD02682984
Smiles: O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)C
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AA60046
ChemicalName:
5-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one
CasNumber:
13920-98-4
MolecularFormula:
C8H7NO4S
MolecularWeight:
213.2105
MdlNumber:
MFCD02682984
Smiles:
O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)C
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
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
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
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
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
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: __
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:
__