3-Ethoxypropyl isothiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H11NOS
Molecular Weight	145.223
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Ethoxypropyl isothiocyanate

Structure Search

SMILES

CCOCCCN=C=S

InChI

InChIKey=SJVDIGVFWQSKFN-UHFFFAOYSA-N

InChI=1S/C6H11NOS/c1-2-8-5-3-4-7-6-9/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H11NOS
Molecular Weight	145.223
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 `Sat Dec 16 12:20:00 GMT 2023` Edited by `admin` on `Sat Dec 16 12:20:00 GMT 2023`
Record UNII	R3SG3N2FU3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Ethoxypropyl isothiocyanate

Systematic Name

English

Propane, 1-ethoxy-3-isothiocyanato-

Systematic Name

English

1-Ethoxy-3-isothiocyanatopropane

Systematic Name

English

Code System Code Type Description

FDA UNII

R3SG3N2FU3

Created by admin on Sat Dec 16 12:20:00 GMT 2023 , Edited by admin on Sat Dec 16 12:20:00 GMT 2023

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ECHA (EC/EINECS)

303-898-5

Created by admin on Sat Dec 16 12:20:00 GMT 2023 , Edited by admin on Sat Dec 16 12:20:00 GMT 2023

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CAS

94231-77-3

Created by admin on Sat Dec 16 12:20:00 GMT 2023 , Edited by admin on Sat Dec 16 12:20:00 GMT 2023

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PUBCHEM

1991431

Created by admin on Sat Dec 16 12:20:00 GMT 2023 , Edited by admin on Sat Dec 16 12:20:00 GMT 2023

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EPA CompTox

DTXSID00241133

Created by admin on Sat Dec 16 12:20:00 GMT 2023 , Edited by admin on Sat Dec 16 12:20:00 GMT 2023

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