Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- (CAS 497931-76-7) — formula C11H12O2S3, molecular weight 272.4; category organic chemicals.
| CAS Number | 497931-76-7 |
|---|---|
| Molecular Formula | C11H12O2S3 |
| Molecular Weight | 272.4 |
| LogP | 3.2 |
| Category | Organic Chemicals |
Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- is a carbon-based organic compound with CAS registry number 497931-76-7 and molecular formula C11H12O2S3 (molecular weight 272.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 497931-76-7
Its molecular formula C11H12O2S3 comprises 11 C, 12 H, 2 O, 3 S atoms.
Also known as: Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- · 丙酸，3-[[[(苯甲基)硫基]硫代甲基]硫基]-
Category: organic chemicals
The CAS registry number of Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- is 497931-76-7.
Molecular formula C11H12O2S3, molecular weight 272.4.
It is also registered under: Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-, 丙酸，3-[[[(苯甲基)硫基]硫代甲基]硫基]-.
Category: Organic Chemicals.
Independent reference data for Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- (CAS 497931-76-7), compiled from public chemistry databases.
| CAS Registry Number | 497931-76-7 |
|---|---|
| PubChem CID | 16059259 |
| Molecular formula | C11H12O2S3 |
| IUPAC name | 3-benzylsulfanylcarbothioylsulfanylpropanoic acid |
| UNII (FDA) | C11H12O2S3 |
| Molecular Weight | 272.4 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 271.99994314 |
| Monoisotopic Mass | 271.99994314 |
| Topological Polar Surface Area | 120 |
| Heavy Atom Count | 16 |
3-[[(BENZYLTHIO)CARBONOTHIOYL]THIO]PROPIONIC ACID; 3-(((Benzylthio)carbonothioyl)thio)propionic Acid; RefChem:487974; 878-400-7; 497931-76-7; 3-(((benzylthio)carbonothioyl)thio)propanoic acid; Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-; 3-benzylsulfanylcarbothioylsulfanylpropanoic acid; 3-(Benzylsulfanylthiocarbonylsulfanyl)propionic acid; 3-{[(BENZYLSULFANYL)METHANETHIOYL]SULFANYL}PROPANOIC ACID; MFCD30475390; 3-benzylsulfanylthiocarbonylsulfanyl propionic acid; 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-propanoic acid; SCHEMBL237595; orb1146567; DTXSID00581602
| Reported hazard statements | H315 (100%), H319 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- · CAS 497931-76-7 · C11H12O2S3. UNII C11H12O2S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.