5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL (CAS 5579-43-1) — formula C13H20N2S, molecular weight 236.38; category organic chemicals.
| CAS Number | 5579-43-1 |
|---|---|
| Molecular Formula | C13H20N2S |
| Molecular Weight | 236.38 |
| LogP | 2.3 |
| Category | Organic Chemicals |
5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL is a carbon-based organic compound with CAS registry number 5579-43-1 and molecular formula C13H20N2S (molecular weight 236.38), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5579-43-1
Its molecular formula C13H20N2S comprises 13 C, 20 H, 2 N, 1 S atoms.
Also known as: 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL · 5',6',7',8'-四氢-3'H-螺[环己烷-1,4'-喹唑啉]-2'-硫醇
Category: organic chemicals
The CAS registry number of 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL is 5579-43-1.
Molecular formula C13H20N2S, molecular weight 236.38.
It is also registered under: 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL, 5',6',7',8'-四氢-3'H-螺[环己烷-1,4'-喹唑啉]-2'-硫醇.
Category: Organic Chemicals.
Independent reference data for 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL (CAS 5579-43-1), compiled from public chemistry databases.
| CAS 号 | 5579-43-1 |
|---|---|
| PubChem CID | 793656 |
| 分子式 | C13H20N2S |
| IUPAC 名称 | spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione |
| UNII（FDA） | HMS1673K19 |
| Molecular Weight | 236.38 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 236.13471982 |
| Monoisotopic Mass | 236.13471982 |
| Topological Polar Surface Area | 56.2 |
| Heavy Atom Count | 16 |
5579-43-1; Spiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thione, 5',6',7',8'-tetrahydro-; DTXSID30204352; 5',6',7',8'-Tetrahydrospiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thione; 5',6',7',8'-Tetrahydrospiro[cyclohexane-1,4'(1'H)-quinazoline]-2'(3'H)-thione; spiro[cyclohexane-1,4'(1'H)-quinazoline]-2'(3'H)-thione, 5',6',7',8'-tetrahydro-; RefChem:381039; DTXCID30126843; 5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,4'-quinazoline]-2'-thiol; 5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione; 2',3',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'-thione; spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione; spiro[1,4,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thiol; 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL; 5',6',7',8'-tetrahydro-1'h-spiro[cyclohexane-1,4'-quinazoline]-2'-thiol; MFCD00719601
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
5',6',7',8'-四氢-3'H-螺[环己烷-1,4'-喹唑啉]-2'-硫醇 · CAS 5579-43-1 · C13H20N2S. UNII HMS1673K19.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.