AB50898
625-57-0 | O-Ethyl carbamothioate
Manufacturer: A2B Chem
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CatalogNumber
AB50898
ChemicalName
O-Ethyl carbamothioate
CasNumber
625-57-0
MolecularFormula
C3H7NOS
MolecularWeight
105.1588
MdlNumber
MFCD00010027
Smiles
CCOC(=S)N
NscNumber
61000
Complexity
54.8
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AB50898
ChemicalName: O-Ethyl carbamothioate
CasNumber: 625-57-0
MolecularFormula: C3H7NOS
MolecularWeight: 105.1588
MdlNumber: MFCD00010027
Smiles: CCOC(=S)N
NscNumber: 61000
Complexity: 54.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB50898
ChemicalName:
O-Ethyl carbamothioate
CasNumber:
625-57-0
MolecularFormula:
C3H7NOS
MolecularWeight:
105.1588
MdlNumber:
MFCD00010027
Smiles:
CCOC(=S)N
NscNumber:
61000
Complexity:
54.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(no1)C=O
NscNumber: __
Complexity: 94.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(no1)C=O
NscNumber:
__
Complexity:
94.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: AB50900
ChemicalName: tert-butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
CasNumber: 620611-27-0
MolecularFormula: C11H21FN2O2
MolecularWeight: 232.295
MdlNumber: MFCD11847970
Smiles: NCC1(F)CCN(CC1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AB50900
ChemicalName:
tert-butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
CasNumber:
620611-27-0
MolecularFormula:
C11H21FN2O2
MolecularWeight:
232.295
MdlNumber:
MFCD11847970
Smiles:
NCC1(F)CCN(CC1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: AB50901
ChemicalName: Benzyl 3-oxopiperidine-1-carboxylate
CasNumber: 61995-20-8
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD03001723
Smiles: O=C1CCCN(C1)C(=O)OCc1ccccc1
NscNumber: __
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB50901
ChemicalName:
Benzyl 3-oxopiperidine-1-carboxylate
CasNumber:
61995-20-8
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD03001723
Smiles:
O=C1CCCN(C1)C(=O)OCc1ccccc1
NscNumber:
__
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5