AB67304
870196-80-8 | 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67304
ChemicalName
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CasNumber
870196-80-8
MolecularFormula
C19H33NO2S3
MolecularWeight
403.66582000000005
MdlNumber
MFCD11040288
Smiles
CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
17
UndefinedAtomStereocenterCount
1
Xlogp3
7.6
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CatalogNumber: AB67304
ChemicalName: 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CasNumber: 870196-80-8
MolecularFormula: C19H33NO2S3
MolecularWeight: 403.66582000000005
MdlNumber: MFCD11040288
Smiles: CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 17
UndefinedAtomStereocenterCount: 1
Xlogp3: 7.6
CatalogNumber:
AB67304
ChemicalName:
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CasNumber:
870196-80-8
MolecularFormula:
C19H33NO2S3
MolecularWeight:
403.66582000000005
MdlNumber:
MFCD11040288
Smiles:
CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
17
UndefinedAtomStereocenterCount:
1
Xlogp3:
7.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccc(cc1)c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1ccc(cc1)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB67306
ChemicalName: 4-Cyano-4'-methylbiphenyl
CasNumber: 50670-50-3
MolecularFormula: C14H11N
MolecularWeight: 193.2438
MdlNumber: MFCD03703444
Smiles: N#Cc1ccc(cc1)c1ccc(cc1)C
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.6
CatalogNumber:
AB67306
ChemicalName:
4-Cyano-4'-methylbiphenyl
CasNumber:
50670-50-3
MolecularFormula:
C14H11N
MolecularWeight:
193.2438
MdlNumber:
MFCD03703444
Smiles:
N#Cc1ccc(cc1)c1ccc(cc1)C
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(C)CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1(C)CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__