AB46137
16982-21-1 | Ethyl thiooxamate
Manufacturer: A2B Chem
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CatalogNumber
AB46137
ChemicalName
Ethyl thiooxamate
CasNumber
16982-21-1
MolecularFormula
C4H7NO2S
MolecularWeight
133.1689
MdlNumber
MFCD00074903
Smiles
CCOC(=O)C(=S)N
NscNumber
174676
Complexity
113
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AB46137
ChemicalName: Ethyl thiooxamate
CasNumber: 16982-21-1
MolecularFormula: C4H7NO2S
MolecularWeight: 133.1689
MdlNumber: MFCD00074903
Smiles: CCOC(=O)C(=S)N
NscNumber: 174676
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB46137
ChemicalName:
Ethyl thiooxamate
CasNumber:
16982-21-1
MolecularFormula:
C4H7NO2S
MolecularWeight:
133.1689
MdlNumber:
MFCD00074903
Smiles:
CCOC(=O)C(=S)N
NscNumber:
174676
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Cc1cscc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Cc1cscc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOS(=O)(=O)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOS(=O)(=O)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46140
ChemicalName: Ethyl trifluoropyruvate
CasNumber: 13081-18-0
MolecularFormula: C5H5F3O3
MolecularWeight: 170.0866
MdlNumber: MFCD00114935
Smiles: CCOC(=O)C(=O)C(F)(F)F
NscNumber: __
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB46140
ChemicalName:
Ethyl trifluoropyruvate
CasNumber:
13081-18-0
MolecularFormula:
C5H5F3O3
MolecularWeight:
170.0866
MdlNumber:
MFCD00114935
Smiles:
CCOC(=O)C(=O)C(F)(F)F
NscNumber:
__
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5