ISOTHIURONIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H24N2S.HI
Molecular Weight	356.31
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOTHIURONIUM

Structure Search

SMILES

I.NC(=N)SCCCCCCCCCC=C

InChI

InChIKey=INDZTCRIYSRWOH-UHFFFAOYSA-N

InChI=1S/C12H24N2S.HI/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14;/h2H,1,3-11H2,(H3,13,14);1H

HIDE SMILES / InChI

Molecular Formula	HI
Molecular Weight	127.91241
Charge	0
Count

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

Molecular Formula	C12H24N2S
Molecular Weight	228.397
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:49:03 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:03 GMT 2025`
Record UNII	8XYH0MIG48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-297328

Preferred Name

English

ISOTHIURONIUM

Common Name

English

ISOTHIOURONIUM IODIDE SALT

Systematic Name

English

UNDEC-10-ENYL CARBAMIMIDOTHIOATE,HYDROIODIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

8XYH0MIG48

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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ECHA (EC/EINECS)

245-108-0

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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CAS

22584-04-9

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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NSC

297328

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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EPA CompTox

DTXSID10177111

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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PUBCHEM

31429

Created by admin on Tue Apr 01 18:49:03 GMT 2025 , Edited by admin on Tue Apr 01 18:49:03 GMT 2025

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