Isobutyl mercaptan (C4H10S)

Looking for routes to Isobutyl mercaptan? Isobutyl mercaptan presents a C4 framework. Use the planner with prefilled SMILES, or copy CC(C)CS (CAS 513-44-0).

Target: Isobutyl mercaptan
CAS: 513-44-0
Formula: C4H10S
Approx. MW: 90.18
SMILES: CC(C)CS
PubChem CID: 10558
Approx. carbons: C4

Isobutyl mercaptan structure

Properties

Molecular weight: 90.18

View on PubChem

Isobutyl mercaptan 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isobutyl mercaptan?

Isobutyl mercaptan has molecular formula C4H10S. Molecular weight about 90.18 g·mol⁻¹.

What is the CAS number of Isobutyl mercaptan?

The CAS Registry Number for Isobutyl mercaptan is 513-44-0.

Run AI retrosynthesis for Isobutyl mercaptan Target catalog AI tools overview

One click loads Isobutyl mercaptan into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

Diethyl sulfide

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.