Research chemical
CAS Number: 1017791-47-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46736092
Exact Mass
244.124549
InChIKey
AGIPFUHLMKYYIT-UHFFFAOYSA-N
IUPAC Name
4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanoic acid
SMILES String
CC1CC(C)(C)NC(=S)N1CCCC(=O)O
No physical property values available.
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.
4-(4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-YL)butanoic acid is identified by CAS 1017791-47-7, with molecular formula C11H20N2O2S, molecular weight 244.36, InChIKey AGIPFUHLMKYYIT-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.
XLogP
1.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
16
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
4
Ring count
1
Aromatic rings
0
Topological polar surface area
52.57 Ų
Computed LogP
1.6
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
4-(4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-YL)butanoic acid (CAS 1017791-47-7) is listed in the Advanced Chemicals portfolio, with molecular formula C11H20N2O2S and molecular weight 244. 36 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: Warning; hazard codes: H302, H312, H332; 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