Research chemical
CAS Number: 59689-64-4
![5-Isopropyl-4H-[1,2,4]triazole-3-thiol molecular structure, CAS 59689-64-4](/structure-images/59689-64-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2447514
Exact Mass
143.051718
InChIKey
HHNZNYRWQWTNSG-UHFFFAOYSA-N
IUPAC Name
5-propan-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
SMILES String
CC(C)c1nnc(S)[nH]1
No physical property values available.
XLogP
0.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
41.57 Ų
Computed LogP
1.22
Structural features
5-Isopropyl-4H-[1,2,4]triazole-3-thiol (CAS 59689-64-4) is listed in the Advanced Chemicals portfolio, with molecular formula C5H9N3S and molecular weight 143. 21 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Danger; hazard codes: H315, H318, H335; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
5-Isopropyl-4H-[1,2,4]triazole-3-thiol is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Danger
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H315, H318, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P264, P271, P280, P302+P352, P304+P340+P312, P305+P351+P338, P310, P332+P313, P362, P403+P233, P405, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.