Methylthioethylthiamine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19N4S2.Cl.ClH
Molecular Weight	367.361
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[Cl-].CSCCC1=C(C)[N+](CC2=C(N)N=C(C)N=C2)=CS1

InChI

InChIKey=ZBXGMILJYIHDTH-UHFFFAOYSA-M

InChI=1S/C13H19N4S2.2ClH/c1-9-12(4-5-18-3)19-8-17(9)7-11-6-15-10(2)16-13(11)14;;/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16);2*1H/q+1;;/p-1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H19N4S2
Molecular Weight	295.447
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:33:18 GMT 2025` Edited by `admin` on `Wed Apr 02 10:33:18 GMT 2025`
Record UNII	5G3GY36LGC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(methylthio)ethyl)thiazol-3-ium chloride hydrochloride

Preferred Name

English

Methylthioethylthiamine

Common Name

English

Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(methylthio)ethyl]-, chloride, hydrochloride

Systematic Name

English

Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(methylthio)ethyl]-, chloride, hydrochloride (1:1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20954692

Created by admin on Wed Apr 02 10:33:18 GMT 2025 , Edited by admin on Wed Apr 02 10:33:18 GMT 2025

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PUBCHEM

214368

Created by admin on Wed Apr 02 10:33:18 GMT 2025 , Edited by admin on Wed Apr 02 10:33:18 GMT 2025

PRIMARY

FDA UNII

5G3GY36LGC

Created by admin on Wed Apr 02 10:33:18 GMT 2025 , Edited by admin on Wed Apr 02 10:33:18 GMT 2025

PRIMARY

CAS

33071-34-0

Created by admin on Wed Apr 02 10:33:18 GMT 2025 , Edited by admin on Wed Apr 02 10:33:18 GMT 2025

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Related Record Type Details


					RAP5VR8LGQ

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(methylthio)ethyl]thiazolium

PARENT -> SALT/SOLVATE

Amount: