AB76095
27079-29-4 | 2-(3-Methoxycarbonylthioureido)aniline
Manufacturer: A2B Chem
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CatalogNumber
AB76095
ChemicalName
2-(3-Methoxycarbonylthioureido)aniline
CasNumber
27079-29-4
MolecularFormula
C9H11N3O2S
MolecularWeight
225.2675
MdlNumber
MFCD01674471
Smiles
COC(=O)NC(=S)Nc1ccccc1N
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB76095
ChemicalName: 2-(3-Methoxycarbonylthioureido)aniline
CasNumber: 27079-29-4
MolecularFormula: C9H11N3O2S
MolecularWeight: 225.2675
MdlNumber: MFCD01674471
Smiles: COC(=O)NC(=S)Nc1ccccc1N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB76095
ChemicalName:
2-(3-Methoxycarbonylthioureido)aniline
CasNumber:
27079-29-4
MolecularFormula:
C9H11N3O2S
MolecularWeight:
225.2675
MdlNumber:
MFCD01674471
Smiles:
COC(=O)NC(=S)Nc1ccccc1N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CNC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CNC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB76098
ChemicalName: Methyl n-benzyl-3-pyrrolidinecarboxylate
CasNumber: 17012-21-4
MolecularFormula: C13H17NO2
MolecularWeight: 219.2796
MdlNumber: MFCD04038678
Smiles: COC(=O)C1CCN(C1)Cc1ccccc1
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB76098
ChemicalName:
Methyl n-benzyl-3-pyrrolidinecarboxylate
CasNumber:
17012-21-4
MolecularFormula:
C13H17NO2
MolecularWeight:
219.2796
MdlNumber:
MFCD04038678
Smiles:
COC(=O)C1CCN(C1)Cc1ccccc1
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.7