s-Triazine, 2,2'-(oxybis(ethylenethio))bis(4,6-diamino-

HCID 79431

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Basic information

CAS: 5412-35-1
Standard SMILES: Nc1nc(N)nc(OCCSCCSc2nc(N)nc(N)n2)n1
InChIKey: ZMSYHBBSTRKMQF-UHFFFAOYSA-N
Molecular formula: C10H16N10OS2
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.09499752

Names & identifiers

Preferred name: s-Triazine, 2,2'-(oxybis(ethylenethio))bis(4,6-diamino-
IUPAC: 6-[2-[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethylsulfanyl]ethoxy]-1,3,5-triazine-2,4-diamine

Names & synonyms

NSC 4479BRN 09008572,2'-(Oxybis(ethylenethio))bis(4,6-diamino-s-triazine)s-Triazine, 2,2'-(oxybis(ethylenethio))bis(4,6-diamino-s-Triazine, 2,2'-(oxybis(ethylenethio))bis(4,6-diamino)-1,3,5-Triazine-2,4-diamine, 6,6'-(oxybis(2,1-ethanediylthio))bis-RefChem:3796311,3,5-Triazine-2,4-diamine, 6,6'-(oxybis(2,1-ethanediylthio))bis-(9CI)5412-35-16-((2-((2-((4,6-Diamino-1,3,5-triazin-2-yl)oxy)ethyl)thio)ethyl)thio)-1,3,5-triazine-2,4-diamine

Database identifiers

CAS: 5412-35-1
PubChem CID: 79431

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 241 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 13
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 323

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