5-Ethyl-5-phenyl-2-thiobarbituric acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2O2S
Molecular Weight	248.301
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Ethyl-5-phenyl-2-thiobarbituric acid

Structure Search

SMILES

CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChIKey=GHHFRPRCYQNNDL-UHFFFAOYSA-N

InChI=1S/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H12N2O2S
Molecular Weight	248.301
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 19:07:59 GMT 2025` Edited by `admin` on `Tue Apr 01 19:07:59 GMT 2025`
Record UNII	S3PL89A6VX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Ethyl-5-phenyl-2-thiobarbituric acid

Systematic Name

English

5-Ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione

Preferred Name

English

5-Ethyldihydro-5-phenyl-2-thioxo-4,6(1H,5H)-pyrimidinedione

Systematic Name

English

Barbituric acid, 5-ethyl-5-phenyl-2-thio-

Systematic Name

English

4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-phenyl-2-thioxo-

Systematic Name

English

NSC-120809

Code

English

Code System Code Type Description

CAS

2753-74-4

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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NSC

120809

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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PUBCHEM

3033297

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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EPA CompTox

DTXSID80181947

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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FDA UNII

S3PL89A6VX

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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ECHA (EC/EINECS)

220-401-6

Created by admin on Tue Apr 01 19:07:59 GMT 2025 , Edited by admin on Tue Apr 01 19:07:59 GMT 2025

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