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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O2S
Molecular Weight 280.346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE THIAZOLONE

SMILES

CC1=C(CCO)SC(=O)N1CC2=C(N)N=C(C)N=C2

InChI

InChIKey=VXCONGLPCAPYEU-UHFFFAOYSA-N
InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H16N4O2S
Molecular Weight 280.346
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 Fri Dec 15 19:42:19 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:19 GMT 2023
Record UNII
X88Z903YTF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE THIAZOLONE
Common Name English
THIAMINE NITRATE IMPURITY D [EP IMPURITY]
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIN-2-ONE
Systematic Name English
4-THIAZOLIN-2-ONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
2(3H)-THIAZOLONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-(3H)-THIAZOLONE
Systematic Name English
OXOTHIAMINE [EP IMPURITY]
Common Name English
OXOTHIAMINE
Common Name English
3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-2(3H)-ONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-719-0
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
CAS
490-82-4
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
FDA UNII
X88Z903YTF
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
SMS_ID
300000027851
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID40197660
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
PUBCHEM
120267
Created by admin on Fri Dec 15 19:42:19 GMT 2023 , Edited by admin on Fri Dec 15 19:42:19 GMT 2023
PRIMARY
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