methyl 4-oxotetrahydrothiophene-3-carboxylate (CAS 2689-68-1) — formula C6H8O3S, molecular weight 160.19; category organic chemicals.
| CAS Number | 2689-68-1 |
|---|---|
| Molecular Formula | C6H8O3S |
| Molecular Weight | 160.19 |
| LogP | 0.5 |
| Applications | General Manufacturing Information: 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester: INACTIVE.
methyl 4-oxotetrahydrothiophene-3-carboxylate is a carbon-based organic compound with CAS registry number 2689-68-1 and molecular formula C6H8O3S (molecular weight 160.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2689-68-1
Its molecular formula C6H8O3S comprises 6 C, 8 H, 3 O, 1 S atoms.
Also known as: methyl 4-oxotetrahydrothiophene-3-carboxylate · 4-氧代四氢噻吩-3-甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl 4-oxotetrahydrothiophene-3-carboxylate is 2689-68-1.
Molecular formula C6H8O3S, molecular weight 160.19.
It is also registered under: methyl 4-oxotetrahydrothiophene-3-carboxylate, 4-氧代四氢噻吩-3-甲酸甲酯.
Recorded applications: General Manufacturing Information: 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for methyl 4-oxotetrahydrothiophene-3-carboxylate (CAS 2689-68-1), compiled from public chemistry databases.
| CAS Registry Number | 2689-68-1 |
|---|---|
| PubChem CID | 98424 |
| Molecular formula | C6H8O3S |
| IUPAC name | methyl 4-oxothiolane-3-carboxylate |
| UNII (FDA) | WEE9GZ2W2C |
| Molecular Weight | 160.19 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 160.01941529 |
| Monoisotopic Mass | 160.01941529 |
| Topological Polar Surface Area | 68.7 |
| Heavy Atom Count | 10 |
2689-68-1; 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester; 4-Carbomethoxy-3-thiophanone; Methyl tetrahydro-4-oxo-3-thiophenecarboxylate; Methyl tetrahydro-4-oxo-3-thenoate; EINECS 220-256-9; NSC 127560; DTXSID40863010; RefChem:505469; DTXCID20811695; 220-256-9; Methyl 4-Oxotetrahydrothiophene-3-carboxylate; methyl 4-oxothiolane-3-carboxylate; MFCD00052381; 4-Carbomethoxytetrahydro-3-thiophenone; Tetrahydro-4-oxo-3-thiophenecarboxylic acid methyl ester
| Reported hazard statements | H302, H312, H332 (25%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
methyl 4-oxotetrahydrothiophene-3-carboxylate · CAS 2689-68-1 · C6H8O3S. UNII WEE9GZ2W2C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-氧代四氢噻吩-3-甲酸甲酯