3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 421577-87-9) — formula C20H19ClN2OS2, molecular weight 403.0; category organic chemicals.
| CAS Number | 421577-87-9 |
|---|---|
| Molecular Formula | C20H19ClN2OS2 |
| Molecular Weight | 403.0 |
| LogP | 5.8 |
| Category | Organic Chemicals |
3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is a carbon-based organic compound with CAS registry number 421577-87-9 and molecular formula C20H19ClN2OS2 (molecular weight 403.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 421577-87-9
Its molecular formula C20H19ClN2OS2 comprises 20 C, 19 H, 1 Cl, 2 N, 1 O, 2 S atoms.
Also known as: 3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one · 3-烯丙基-2-((4-氯苄基)硫基)-5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶-4(3H)-酮
Category: organic chemicals
The CAS registry number of 3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 421577-87-9.
Molecular formula C20H19ClN2OS2, molecular weight 403.0.
It is also registered under: 3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-烯丙基-2-((4-氯苄基)硫基)-5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶-4(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 421577-87-9), compiled from public chemistry databases.
| CAS 号 | 421577-87-9 |
|---|---|
| PubChem CID | 1816787 |
| 分子式 | C20H19ClN2OS2 |
| IUPAC 名称 | 2-[(4-chlorophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| Molecular Weight | 403.0 |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.0627333 |
| Monoisotopic Mass | 402.0627333 |
| Topological Polar Surface Area | 86.2 |
| Heavy Atom Count | 26 |
421577-87-9; 3-allyl-2-[(4-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; 3-allyl-2-((4-chlorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one; Oprea1_522657; Oprea1_844636; 2-[(4-chlorophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one; STL333911; AKOS001639641; AO-364/40761376; SR-01000490543; SR-01000490543-1; F1043-0022; 2-[(4-chlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-烯丙基-2-((4-氯苄基)硫基)-5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶-4(3H)-酮 · CAS 421577-87-9 · C20H19ClN2OS2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-烯丙基-2-((4-氯苄基)硫基)-5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶-4(3H)-酮