CAS
--- Purity
---
--- Purity
---
Shopping basket
3-[(Methylthio)methyl]pentane-2,4-dione
Catalog Number
ACMA00000561
Category
Alkanes
Molecular Weight
160.23
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Hazard Statements
H225-H304-H315-H336-H411
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS02
What is the molecular formula of the compound?
The molecular formula is C7H12O2S.
What is the molecular weight of the compound?
The molecular weight is 160.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(methylsulfanylmethyl)pentane-2,4-dione.
What is the InChI key of the compound?
The InChI key is SYNOVGSBLUVTDT-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation is CC(=O)C(CSC)C(=O)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.5.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 59.4 Ų.
Recommended Products
