Introduction：Basic information about CAS 5579-43-1|5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL |
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| CAS Number | 5579-43-1 | Molecular Weight | 236.37600 |
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| Density | 1.17g/cm3 | Boiling Point | 369.9ºC at 760 mmHg |
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| Molecular Formula | C13H20N2S | Melting Point | / |
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| MSDS | / | Flash Point | 177.5ºC |
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Names
| Name | spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 369.9ºC at 760 mmHg |
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| Molecular Formula | C13H20N2S |
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| Molecular Weight | 236.37600 |
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| Flash Point | 177.5ºC |
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| Exact Mass | 236.13500 |
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| PSA | 56.15000 |
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| LogP | 3.65270 |
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| Index of Refraction | 1.613 |
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| InChIKey | BNFUEZMEJGCGKN-UHFFFAOYSA-N |
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| SMILES | S=C1NC2=C(CCCC2)C2(CCCCC2)N1 |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- WH0194560
- CHEMICAL NAME :
- Spiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thio ne, 5',6',7',8'-tetrahydro-
- CAS REGISTRY NUMBER :
- 5579-43-1
- LAST UPDATED :
- 198408
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H20-N2-S
- MOLECULAR WEIGHT :
- 236.41
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1270 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Behavioral - muscle contraction or spasticity
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 24,572,1969
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4,4-Pentamethylen-5,6-tetramethylen-2-thiono-1,2,3,4-tetrahydro-pyrimidin |
| 5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,4'-quinazoline]-2'-thiol |
| 4,5-Tetramethylen-6,6-pentamethylen-3,6-dihydro-2(1H)-pyrimidinthion |
| spiro[1,4,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thiol |
| 5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'-thione |
| 5',6',7',8'-Tetrahydrospiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thione |
| 5',6',7',8'-tetrahydro-1'h-spiro[cyclohexane-1,4'-quinazoline]-2'-thiol |
| Spiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thione,5',6',7',8'-tetrahydro |
| 4,4-pentamethylene-5,6-tetramethylene-1,2,3,4-tetrahydropyrimidine-2-thione |
