Research chemical
CAS Number: 85916-84-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4104
Exact Mass
114.025169
InChIKey
PMRYVIKBURPHAH-UHFFFAOYSA-N
SMILES String
CN1C=CN=C1S
No physical property values available.
XLogP
-0.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
7
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
0
Ring count
1
Aromatic rings
1
Topological polar surface area
17.82 Ų
Computed LogP
0.71
Structural features
1-methylimidazole-2-thiol (CAS 85916-84-3) is listed in the Advanced Chemicals portfolio, with molecular formula C4H6N2S and molecular weight 114. 17 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: H317, H360; For research use only.
ChEMBL reports experimental activity evidence for: Lactoperoxidase (Homo sapiens) — 2 assays; Prostaglandin G/H synthase 1 (Homo sapiens) — 2 assays; Dopamine beta-hydroxylase (Bos taurus) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 3 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Lactoperoxidase
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.
1-methylimidazole-2-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.
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.29
Experimental evidence source: ChEMBL
Prostaglandin G/H synthase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.27
Experimental evidence source: ChEMBL
Dopamine beta-hydroxylase
Bos taurus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 4.35
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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: H317, H360
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P201, P202, P261, P272, P280, P302+P352+P333+P313+P363, P308+P313, 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.