AG66508
59937-28-9 | 1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AG66508
ChemicalName
1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber
59937-28-9
MolecularFormula
C12H16O4S2
MolecularWeight
288.383
MdlNumber
MFCD00867646
Smiles
CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
3.8
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CatalogNumber: AG66508
ChemicalName: 1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber: 59937-28-9
MolecularFormula: C12H16O4S2
MolecularWeight: 288.383
MdlNumber: MFCD00867646
Smiles: CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 3.8
CatalogNumber:
AG66508
ChemicalName:
1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber:
59937-28-9
MolecularFormula:
C12H16O4S2
MolecularWeight:
288.383
MdlNumber:
MFCD00867646
Smiles:
CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
3.8
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Smiles: COc1cnc(s1)N
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
COc1cnc(s1)N
Complexity:
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RotatableBondCount:
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Smiles: C/C(=C1/CCOC(=O)S1)/N(C=O)Cc1cnc([nH]c1=N)C
Complexity: __
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MolecularWeight:
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Smiles:
C/C(=C1/CCOC(=O)S1)/N(C=O)Cc1cnc([nH]c1=N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__