1-Isothiocyanatoadamantane

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Names

[ CAS No. ]:
4411-26-1

[ Name ]:
1-Isothiocyanatoadamantane

[Synonym ]:
1-Adamantyl Isothiocyanate
(3s,5s,7s)-1-Isothiocyanatoadamantane
1-Isothiocyanatoadamantane
Isothiocyanic Acid 1-Adamantyl Ester
Tricyclo[3.3.1.1]decane, 1-isothiocyanato-
MFCD00074736
Tricyclo(3.3.1.1(3,7))decane, 1-isothiocyanato-
EINECS 224-564-4

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
297.6±7.0 °C at 760 mmHg

[ Melting Point ]:
166-168 °C(lit.)

[ Molecular Formula ]:
C11H15NS

[ Molecular Weight ]:
193.309

[ Flash Point ]:
138.0±26.0 °C

[ Exact Mass ]:
193.092514

[ PSA ]:
44.45000

[ LogP ]:
3.82

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.722

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
2811

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

  • Carbon disulphide
  • Adamantan-1-amine
  • Thiophosgene
  • (1R,3R,5R,7R)-3'-((3R,5R,7R)-adamantan-1-yl)spiro[adamantane-2,5'-[1,4,2]oxathiazole]
  • Adamantan-1-ol
  • O-adamantan-1-yl carbonisothiocyanatidate
  • Methyl adamantane-1-carboxylate
  • adamantane-2-thione

DownStream

  • 1-Adamantyl isocyanate
  • 1-acetamidoadamantane
  • 1-Isocyanoadamantane
  • 1-Chloroadamantane
  • 1-chloro-3-isothiocyanatoadamantane
  • 1,3-dichloroadamantane
  • 1-chloro-2-isothiocyanato-2-methylpropane
  • 1-Adamantan-1-ylthiourea

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

7-Methoxytacrine-adamantylamine heterodimers as cholinesterase inhibitors in Alzheimer's disease treatment--synthesis, biological evaluation and molecular modeling studies.

Molecules 18(2) , 2397-418, (2013)

A structural series of 7-MEOTA-adamantylamine thioureas was designed, synthesized and evaluated as inhibitors of human acetylcholinesterase (hAChE) and human butyrylcholinesterase (hBChE). The compoun...

Synthesis and structural characterization of tris(2-mercapto-1-adamantylimidazolyl)hydroborato complexes: a sterically demanding tripodal [S3] donor ligand.

Inorg. Chem. , (2011)

The tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand, [Tm(Ad)], has been synthesized via the reaction of 1-adamantyl-2-mercaptoimidazole with MBH(4) (M = Li, K). [Tm(Ad)]M has been used to syn...

[Antiviral agents / 9th communication: virustatically active N-(1-adamantyl)-thiourea derivatives based on cyclic secondary amines (author's transl)].

Arzneimittelforschung 27(5) , 969-72, (1977)

By nucleophilic addition of pyrrolidine (2a), piperidine (2b), 3-hydroxypiperidine (2c), and 4-hydroxypiperidine (2d) on 1-adamantyl-isothiocyanate (1), the N',N'-disubstituted N-(1-adamantyl)-thioure...


More Articles

Related Compounds

  • 1-chloro-3-isothiocyanatoadamantane
  • 1-phenyl-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
  • 1-[2-(2-fluorobenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium,chloride
  • 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone
  • 1,4-BenzenediaMine, N,N,N',N'-tetrakis[4-[bis(2-Methylpropyl)aMino]phenyl]-
  • 1-[2-(2-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium,chloride