Research chemical
Pentamethylbenzenesulphonyl chloride
CAS Number: 52499-94-2
Product details
Identity & specification
- Molecular formula
- C11H15ClO2S
- Molecular weight
- 246.75 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
590180
Exact Mass
246.048129
InChIKey
VDBXRBKVRRJRRW-UHFFFAOYSA-N
IUPAC Name
2,3,4,5,6-pentamethylbenzenesulfonyl chloride
SMILES String
CC1=C(C(=C(C(=C1C)C)S(=O)(=O)Cl)C)C
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
15
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
34.14 Ų
Computed LogP
3.16
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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.
Catalog Facts
Structural features
Pentamethylbenzenesulphonyl chloride (CAS 52499-94-2) is maintained as a commercial cas reference with formula C11H15ClO2S, molecular weight 246. 75 g/mol, PubChem CID 590180.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Pentamethylbenzenesulphonyl chloride (CAS 52499-94-2)?
Pentamethylbenzenesulphonyl chloride is identified by CAS 52499-94-2, with molecular formula C11H15ClO2S, molecular weight 246.75, InChIKey VDBXRBKVRRJRRW-UHFFFAOYSA-N.
Can I request a COA for CAS 52499-94-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Pentamethylbenzenesulphonyl chloride?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 52499-94-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.