Research chemical
CAS Number: 1005606-56-3
![3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione molecular structure, CAS 1005606-56-3](/structure-images/1005606-56-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4777525
Exact Mass
477.135877
InChIKey
ICLVOCKUBDJEOK-UHFFFAOYSA-N
SMILES String
Fc1ccccc1Cn1ccc(-n2c(S)nnc2CCn2nc(C(F)(F)F)cc2C2CC2)n1
No physical property values available.
XLogP
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.
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione is identified by CAS 1005606-56-3, with molecular formula C21H19F4N7S, molecular weight 477.5, InChIKey ICLVOCKUBDJEOK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
3.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
7
Ring count
5
Aromatic rings
4
Topological polar surface area
66.35 Ų
Computed LogP
4.28
Fragment-like structure rule
No
Lead-like structure rule
No
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.
Structural features
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione (CAS 1005606-56-3) is an English MolGraph catalog reference, molecular formula C21H19F4N7S and molecular weight 477. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
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Safety and handling reference content is available through documentation requests.
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