Research chemical
2-Amino-4-benzylsulfanylbutanoic acid
CAS Number: 1017-76-1
Product details
Identity & specification
- Molecular formula
- C11H15NO2S
- Molecular weight
- 225.31 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
225488
Exact Mass
225.08235
InChIKey
KIPDMPPOTUGMPW-UHFFFAOYSA-N
SMILES String
C1=CC=C(C=C1)CSCCC(C(=O)O)N
Physical Properties
No physical property values available.
Show more physical data
XLogP
-0.9
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
3
H-bond donors
3
Rotatable bonds
6
Ring count
1
Aromatic rings
1
Topological polar surface area
63.32 Ų
Computed LogP
1.72
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.
Catalog Facts
Structural features
2-Amino-4-benzylsulfanylbutanoic acid (CAS 1017-76-1) is listed in the Advanced Chemicals portfolio, with molecular formula C11H15NO2S and molecular weight 225. 31 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, H315, H319; For research use only.
Applications & Classification
Safety & Handling
Handling & Storage
- Store in a well-ventilated area.
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- and reactive.
- carbon monoxide , carbon dioxide , nitrogen oxides , sulfur oxides.
Disposal
- The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
- Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
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 RequestCatalog 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 2-Amino-4-benzylsulfanylbutanoic acid (CAS 1017-76-1)?
2-Amino-4-benzylsulfanylbutanoic acid is identified by CAS 1017-76-1, with molecular formula C11H15NO2S, molecular weight 225.31, InChIKey KIPDMPPOTUGMPW-UHFFFAOYSA-N.
Can I request a COA for CAS 1017-76-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-Amino-4-benzylsulfanylbutanoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1017-76-1 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.