AD51317
153121-88-1 | 2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
Manufacturer: A2B Chem
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CatalogNumber
AD51317
ChemicalName
2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
CasNumber
153121-88-1
MolecularFormula
C7H14O2S
MolecularWeight
162.2499
MdlNumber
MFCD18907033
Smiles
OCCSC(=O)C(C)(C)C
Complexity
115
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AD51317
ChemicalName: 2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
CasNumber: 153121-88-1
MolecularFormula: C7H14O2S
MolecularWeight: 162.2499
MdlNumber: MFCD18907033
Smiles: OCCSC(=O)C(C)(C)C
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AD51317
ChemicalName:
2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
CasNumber:
153121-88-1
MolecularFormula:
C7H14O2S
MolecularWeight:
162.2499
MdlNumber:
MFCD18907033
Smiles:
OCCSC(=O)C(C)(C)C
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(cc[nH]c1=O)CN1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(cc[nH]c1=O)CN1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CN1CCCC1
Complexity: 93.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CN1CCCC1
Complexity:
93.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1