(3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione (CAS 6766-45-6) — formula C18H20N2OS2, molecular weight 344.5; category organic chemicals.
| CAS Number | 6766-45-6 |
|---|---|
| Molecular Formula | C18H20N2OS2 |
| Molecular Weight | 344.5 |
| LogP | 4.9 |
| Category | Organic Chemicals |
(3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is a carbon-based organic compound with CAS registry number 6766-45-6 and molecular formula C18H20N2OS2 (molecular weight 344.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6766-45-6
Its molecular formula C18H20N2OS2 comprises 18 C, 20 H, 2 N, 1 O, 2 S atoms.
Also known as: (3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione · REL-(3AR,4R,7S,7AS)-4-甲基-3A,4,7,7A-四氢-4,7-环氧异苯并呋喃-1,3-二酮
Category: organic chemicals
The CAS registry number of (3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione is 6766-45-6.
Molecular formula C18H20N2OS2, molecular weight 344.5.
It is also registered under: (3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione, REL-(3AR,4R,7S,7AS)-4-甲基-3A,4,7,7A-四氢-4,7-环氧异苯并呋喃-1,3-二酮.
Category: Organic Chemicals.
Independent reference data for (3aR,4R,7S,7aS)-4-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione (CAS 6766-45-6), compiled from public chemistry databases.
| CAS 号 | 6766-45-6 |
|---|---|
| PubChem CID | 5211690 |
| 分子式 | C18H20N2OS2 |
| IUPAC 名称 | 3-butyl-2-[(2-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one |
| UNII（FDA） | HMS1910L01 |
| Molecular Weight | 344.5 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 344.10170561 |
| Monoisotopic Mass | 344.10170561 |
| Topological Polar Surface Area | 86.2 |
| Heavy Atom Count | 23 |
6766-45-6; 3-butyl-2-[(2-methylbenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one; 3-butyl-2-[(2-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one; 3-butyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one; Oprea1_267445; CHEMBL1474478; DTXSID70410293; HMS1910L01; AKOS002082513; NCGC00138578-01; EU-0028284; SR-01000564100; SR-01000564100-1; K292-0762; 3-Butyl-2-{[(2-methylphenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
REL-(3AR,4R,7S,7AS)-4-甲基-3A,4,7,7A-四氢-4,7-环氧异苯并呋喃-1,3-二酮 · CAS 6766-45-6 · C18H20N2OS2. UNII HMS1910L01.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: REL-(3AR,4R,7S,7AS)-4-甲基-3A,4,7,7A-四氢-4,7-环氧异苯并呋喃-1,3-二酮