ADAMANTYL ISOTHIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H15NS
Molecular Weight	193.309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ADAMANTYL ISOTHIOCYANATE

Structure Search

SMILES

S=C=NC12CC3CC(CC(C3)C1)C2

InChI

InChIKey=YPKFLUARLJRPQM-UHFFFAOYSA-N

InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C11H15NS
Molecular Weight	193.309
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:52:03 GMT 2025` Edited by `admin` on `Tue Apr 01 18:52:03 GMT 2025`
Record UNII	V33B5GRD78
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ADAMANTYL ISOTHIOCYANATE

Common Name

English

TRICYCLO(3.3.1.1'3,7)DEC-1-YL ISOCYANATE

Preferred Name

English

NSC-529585

Code

English

1-ISOTHIOCYANATOADAMANTANE

Systematic Name

English

Code System Code Type Description

PUBCHEM

107279

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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EPA CompTox

DTXSID70196040

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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NSC

529585

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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CAS

4411-26-1

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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FDA UNII

V33B5GRD78

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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ECHA (EC/EINECS)

224-564-4

Created by admin on Tue Apr 01 18:52:03 GMT 2025 , Edited by admin on Tue Apr 01 18:52:03 GMT 2025

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