THIOHEXITAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H16N2O2S
Molecular Weight	264.343
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC#CC(C)C1(CC=C)C(=O)NC(=S)NC1=O

InChI

InChIKey=ZGYJMOZAMSVQBT-UHFFFAOYSA-N

InChI=1S/C13H16N2O2S/c1-4-6-7-9(3)13(8-5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,8H2,1,3H3,(H2,14,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C13H16N2O2S
Molecular Weight	264.343
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:28:48 GMT 2025` Edited by `admin` on `Mon Mar 31 18:28:48 GMT 2025`
Record UNII	Y306914B95
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIOHEXITAL

Common Name

English

LY-22113

Preferred Name

English

DL-5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIOBARBITURIC ACID

Common Name

English

4,6(1H,5H)-PYRIMIDINEDIONE, DIHYDRO-5-(1-METHYL-2-PENTYNYL)-5-(2-PROPENYL)-2-THIOXO-, (±)-

Systematic Name

English

4,6(1H,5H)-PYRIMIDINEDIONE, DIHYDRO-5-(1-METHYL-2-PENTYNYL)-5-(2-PROPENYL)-2-THIOXO-

Systematic Name

English

(±)-5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIOBARBITURIC ACID

Systematic Name

English

LILLY 22113

Common Name

English

BARBITURIC ACID, 5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIO-, (±)-

Common Name

English

Code System Code Type Description

PUBCHEM

3032537

Created by admin on Mon Mar 31 18:28:48 GMT 2025 , Edited by admin on Mon Mar 31 18:28:48 GMT 2025

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EPA CompTox

DTXSID60997881

Created by admin on Mon Mar 31 18:28:48 GMT 2025 , Edited by admin on Mon Mar 31 18:28:48 GMT 2025

PRIMARY

FDA UNII

Y306914B95

Created by admin on Mon Mar 31 18:28:48 GMT 2025 , Edited by admin on Mon Mar 31 18:28:48 GMT 2025

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CAS

7651-40-3

Created by admin on Mon Mar 31 18:28:48 GMT 2025 , Edited by admin on Mon Mar 31 18:28:48 GMT 2025

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