3-Chloropropyl thioacetate (CAS 13012-54-9) — formula C5H9ClOS, molecular weight 152.64; category organic chemicals.
| CAS Number | 13012-54-9 |
|---|---|
| Molecular Formula | C5H9ClOS |
| Molecular Weight | 152.64 |
| LogP | 1.6 |
| Category | Organic Chemicals |
3-Chloropropyl thioacetate is a carbon-based organic compound with CAS registry number 13012-54-9 and molecular formula C5H9ClOS (molecular weight 152.64), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13012-54-9
Its molecular formula C5H9ClOS comprises 5 C, 9 H, 1 Cl, 1 O, 1 S atoms.
Also known as: 3-Chloropropyl thioacetate · 硫代乙酸3-氯丙酯
Category: organic chemicals
The CAS registry number of 3-Chloropropyl thioacetate is 13012-54-9.
Molecular formula C5H9ClOS, molecular weight 152.64.
It is also registered under: 3-Chloropropyl thioacetate, 硫代乙酸3-氯丙酯.
Category: Organic Chemicals.
Independent reference data for 3-Chloropropyl thioacetate (CAS 13012-54-9), compiled from public chemistry databases.
| CAS Registry Number | 13012-54-9 |
|---|---|
| PubChem CID | 83044 |
| Molecular formula | C5H9ClOS |
| IUPAC name | S-(3-chloropropyl) ethanethioate |
| UNII (FDA) | NS00052551 |
| Molecular Weight | 152.64 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 152.0062638 |
| Monoisotopic Mass | 152.0062638 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 8 |
13012-54-9; S-(3-Chloropropyl) ethanethioate; EINECS 235-865-5; DTXSID10926606; NSC 163141; RefChem:500522; DTXCID401355418; 235-865-5; 3-Chloropropyl thioacetate; 3-Chloropropyl thiolacetate; 1-[(3-chloropropyl)sulfanyl]ethan-1-one; C5H9ClOS; 3-CHLOROPROPYLTHIOACETATE; Ethanethioic acid, S-(3-chloropropyl) ester; MFCD00001002; chloropropyl thioacetate
| Reported hazard statements | H227 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H227 (100%): Combustible liquid [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Chloropropyl thioacetate · CAS 13012-54-9 · C5H9ClOS. UNII NS00052551.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫代乙酸3-氯丙酯