Propanoic acid, 3,3'-thiobis-, didodecyl ester

Propanoic acid, 3,3'-thiobis-, didodecyl ester
Compound Structure:
Synonyms: Dicetyl thiodipropionate ;3287-12-5 ;Propanoic acid, 3,3'-thiobis-, dihexadecyl ester ;Dihexadecyl 3,3'-thiobispropionate hexadecyl ;3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoate
Compound ID: NMPC-1434
PubChem ID:

76783
Molecular Formula: C38H74O4S
Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC
InChIKey: IXDBUVCZCLQKJF-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

627.1 g/mol

XLogP3-AA

16

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

38

Exact Mass

626.53078201 g/mol

Monoisotopic Mass

626.53078201 g/mol

Topological Polar Surface Area

77.9Ų

Heavy Atom Count

43

Formal Charge

0

Complexity

520

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Saccharum officinarum
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