Research chemical
CAS Number: 104617-85-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
13670715
Exact Mass
283.067674
InChIKey
QMNWXHSYPXQFSK-UHFFFAOYSA-N
IUPAC Name
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride
SMILES String
CCCNC1CCc2nc(N)sc2C1.Cl.Cl
Appearance
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.
N6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrogen chloride (1:2) is identified by CAS 104617-85-8, with molecular formula C10H19Cl2N3S, molecular weight 284.2, InChIKey QMNWXHSYPXQFSK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
White to Very pale yellow Solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
16
H-bond acceptors
3
H-bond donors
3
Rotatable bonds
3
Ring count
2
Aromatic rings
1
Topological polar surface area
50.94 Ų
Computed LogP
2.43
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.
Structural features
N6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrogen chloride (1:2) (CAS 104617-85-8) is maintained as a cataloged research chemical with formula C10H19Cl2N3S, molecular weight 284. 20 g/mol, PubChem CID 13670715.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
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 Request