S-propyl propanethiosulfinate
CHEBI:91021
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
A sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C6H14OS2 |
|---|
| Charge | 0 |
|---|
| Average mass | 166.311 Da |
|---|
| Monoisotopic mass | 166.04861 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | XPRZAEWSYWTDSQ-UHFFFAOYSA-N |
|---|
SMILES
CCCSS(=O)CCC
InChI
InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3
Also called
- S-propyl propane-1-sulfinothioate (EXACT_SYNONYM)— chebi
- 1-Propanesulfinothioic acid, S-propyl ester (EXACT_SYNONYM)— chebi
- S-Propyl 1-propanesulfinothioate (EXACT_SYNONYM)— chebi
- S-propyl propane-1-thiosulfinate (EXACT_SYNONYM)— chebi
- dipropyl thiosulfinate (EXACT_SYNONYM)— chebi
- propyl propanethiosulfinate (EXACT_SYNONYM)— chebi
- propyl propylthiosulfinate (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:1948-52-3
- hmdb:HMDB0034394
- patent:EP2110128
- patent:US2010035984
- reaxys:1098798
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:91021 |
S-propyl propanethiosulfinate |
antibioticmech:chebi-c48b590ad9 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.