5-[12-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-amine

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Basic information

CAS: 87202-65-1
Standard SMILES: Nc1nnc(SCCCCCCCCCCCCSc2nnc(N)s2)s1
InChIKey: MWMUYLRULAJDDS-UHFFFAOYSA-N
Molecular formula: C16H28N6S4
Average molar mass: 432.7 g/mol
Monoisotopic mass: 432.12582961

Names & identifiers

Preferred name: 5-[12-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-amine
IUPAC: 5-[12-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-amine
English name: 5-[12-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]dodecylsulfanyl]-1,3,4- thiadiazol-2-amine
Molecular formula: C16H28N6S4
Molecular weight: 432.69372

Names & synonyms

87202-65-1NSC360365DTXSID20320494NSC-3603655,5'-(Dodecane-1,12-diyldisulfanediyl)di(1,3,4-thiadiazol-2-amine)5,5'-[Dodecane-1,12-diylbis(sulfanediyl)]di(1,3,4-thiadiazol-2-amine)5-[12-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]dodecylsulfanyl]-1,3,4- thiadiazol-2-amine

Database identifiers

CAS: 87202-65-1
PubChem CID: 338360
DTXSID: DTXSID20320494

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 211 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 15
Heavy atoms: 26
Formal charge: 0
Complexity: 323

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