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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12372264Generated: October 25, 2026

1,1-Bis(methylsulfanyl)-2-nitroethane

https://huagongshe.com/en/chemical/12372264

1,1-Bis(methylsulfanyl)-2-nitroethane molecular structure

Identifiers & Physical Properties

CAS No.66031-28-5
Molecular formulaC4H9NO2S2
Average molar mass167.3 g/mol
Monoisotopic mass167.00747053 g/mol
SMILESCSC(C[N+](=O)[O-])SC
InChIKeyJTVIRZXORWVLBQ-UHFFFAOYSA-N
PubChem CID12372264
DTXSIDDTXSID80494908

Chemical & Physical Properties

XLogP1.5
Topological polar surface area96.4
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms9
Formal charge0
Complexity89.1