3,4,5-Trimethoxybenzoyl isothiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11NO4S
Molecular Weight	253.274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3,4,5-Trimethoxybenzoyl isothiocyanate

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)N=C=S

InChI

InChIKey=SRJJUWPSSFADES-UHFFFAOYSA-N

InChI=1S/C11H11NO4S/c1-14-8-4-7(11(13)12-6-17)5-9(15-2)10(8)16-3/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H11NO4S
Molecular Weight	253.274
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 12:26:45 GMT 2023` Edited by `admin` on `Sat Dec 16 12:26:45 GMT 2023`
Record UNII	ZVD3EJ8E92
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4,5-Trimethoxybenzoyl isothiocyanate

Systematic Name

English

NSC-57734

Code

English

Benzoyl isothiocyanate, 3,4,5-trimethoxy-

Systematic Name

English

Code System Code Type Description

CAS

6939-63-5

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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PUBCHEM

81358

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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FDA UNII

ZVD3EJ8E92

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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NSC

57734

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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ECHA (EC/EINECS)

230-074-1

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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EPA CompTox

DTXSID30219507

Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023

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