Research chemical
CAS Number: 5391-30-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
138482
Exact Mass
229.95133
InChIKey
QIGMVYSPXPXCPN-UHFFFAOYSA-N
SMILES String
C1=CC=C(C(=C1)N=C(N)S)Br
No physical property values available.
XLogP
2.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
11
H-bond acceptors
2
H-bond donors
2
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
38.38 Ų
Computed LogP
2.33
Structural features
N'-(2-bromophenyl)carbamimidothioic acid (CAS 5391-30-0) is listed in the Advanced Chemicals portfolio, with molecular formula C7H7BrN2S and molecular weight 231. 12 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: H301, H315, H317; For research use only.
ChEMBL reports experimental activity evidence for: Nuclear receptor ROR-gamma (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.05
Experimental evidence source: ChEMBL
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
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.
N'-(2-bromophenyl)carbamimidothioic acid 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
Yes
Drug-like structure rule
Yes
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 RequestSupplier 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.