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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12911237Generated: November 4, 2026

S-Butyl pentanethioate

https://huagongshe.com/en/chemical/12911237

S-Butyl pentanethioate molecular structure

Identifiers & Physical Properties

CAS No.81291-61-4
Molecular formulaC9H18OS
Average molar mass174.31 g/mol
Monoisotopic mass174.10783637 g/mol
SMILESCCCCSC(=O)CCCC
InChIKeyBIZKYHSPNIBTKQ-UHFFFAOYSA-N
PubChem CID12911237
DTXSIDDTXSID90512768

Chemical & Physical Properties

XLogP3.3
Topological polar surface area42.4
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds7
Heavy atoms11
Formal charge0
Complexity102