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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11NO2S.ClH
Molecular Weight 221.704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(Hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride

SMILES

Cl.CC1=C(O)C(CS)=C(CO)C=N1

InChI

InChIKey=OSIHSOCCTSYTLJ-UHFFFAOYSA-N
InChI=1S/C8H11NO2S.ClH/c1-5-8(11)7(4-12)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H11NO2S
Molecular Weight 185.243
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 Sat Dec 16 12:58:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:31 GMT 2023
Record UNII
V99R6SN7A6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(Hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride
Systematic Name English
3-Pyridinemethanol, 5-hydroxy-4-(mercaptomethyl)-6-methyl-, hydrochloride (1:1)
Systematic Name English
NSC-526970
Code English
3-PYRIDINEMETHANOL, 5-HYDROXY-4-(MERCAPTOMETHYL)-6-METHYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
1198-26-1
Created by admin on Sat Dec 16 12:58:31 GMT 2023 , Edited by admin on Sat Dec 16 12:58:31 GMT 2023
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FDA UNII
V99R6SN7A6
Created by admin on Sat Dec 16 12:58:31 GMT 2023 , Edited by admin on Sat Dec 16 12:58:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID80152591
Created by admin on Sat Dec 16 12:58:31 GMT 2023 , Edited by admin on Sat Dec 16 12:58:31 GMT 2023
PRIMARY
NSC
526970
Created by admin on Sat Dec 16 12:58:31 GMT 2023 , Edited by admin on Sat Dec 16 12:58:31 GMT 2023
PRIMARY
PUBCHEM
200230
Created by admin on Sat Dec 16 12:58:31 GMT 2023 , Edited by admin on Sat Dec 16 12:58:31 GMT 2023
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