CAS 4411-26-1|1-Isothiocyanatoadamantane

Introduction：Basic information about CAS 4411-26-1|1-Isothiocyanatoadamantane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles3
6. Synonyms

Common Name	1-Isothiocyanatoadamantane
CAS Number	4411-26-1	Molecular Weight	193.309
Density	1.4±0.1 g/cm3	Boiling Point	297.6±7.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₅NS	Melting Point	166-168 °C(lit.)
MSDS	ChineseUSA	Flash Point	138.0±26.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	1-adamantyl isothiocyanate
Synonym	More Synonyms

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
InChIKey	YPKFLUARLJRPQM-UHFFFAOYSA-N
SMILES	S=C=NC12CC3CC(CC(C3)C1)C2

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

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%

Articles3

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...

Synonyms

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

Recommended......