5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL

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Names

[ CAS No. ]:
5579-43-1

[ Name ]:
5'',6'',7'',8''-TETRAHYDRO-3''H-SPIRO[CYCLOHEXANE-1,4''-QUINAZOLINE]-2''-THIOL

[Synonym ]:
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

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
369.9ºC at 760 mmHg

[ Molecular Formula ]:
C13H20N2S

[ Molecular Weight ]:
236.37600

[ Flash Point ]:
177.5ºC

[ Exact Mass ]:
236.13500

[ PSA ]:
56.15000

[ LogP ]:
3.65270

[ Index of Refraction ]:
1.613

[ Storage condition ]:
2-8℃

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 DATA

ACUTE 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

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Customs

[ HS Code ]: 2933990090

[ 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%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • rac-[(2R,5S)-5-[(azetidin-1-yl)methyl]oxolan-2-yl]methanamine
  • 3-Amino-3-{spiro[2.2]pentan-1-yl}propanamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 1-cyclopropyl-1-(1-ethyl-1H-imidazol-5-yl)ethan-1-amine
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde