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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N4OS.CNS
Molecular Weight 323.437
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE THIOCYANATE

SMILES

[S-]C#N.CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=UHDPBLMLEMNPKP-UHFFFAOYSA-M
InChI=1S/C12H17N4OS.CHNS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1-3/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);3H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H16N4OS
Molecular Weight 264.347
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CHNS
Molecular Weight 59.09
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Thiamine Thiocyanate occurs as white crystals or crystalline powder. It is odorless or has a slight, characteristic odor. No available data exist.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:21:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:21:26 GMT 2023
Record UNII
8P0V4VF50B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE THIOCYANATE
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, THIOCYANATE (SALT)
Systematic Name English
THIAMINE THIOCYANATE (SALT)
Common Name English
Code System Code Type Description
CAS
859795-24-7
Created by admin on Sat Dec 16 10:21:26 GMT 2023 , Edited by admin on Sat Dec 16 10:21:26 GMT 2023
SUPERSEDED
FDA UNII
8P0V4VF50B
Created by admin on Sat Dec 16 10:21:26 GMT 2023 , Edited by admin on Sat Dec 16 10:21:26 GMT 2023
PRIMARY
PUBCHEM
72694511
Created by admin on Sat Dec 16 10:21:26 GMT 2023 , Edited by admin on Sat Dec 16 10:21:26 GMT 2023
PRIMARY
CAS
14940-85-3
Created by admin on Sat Dec 16 10:21:26 GMT 2023 , Edited by admin on Sat Dec 16 10:21:26 GMT 2023
PRIMARY
CAS
3364-74-7
Created by admin on Sat Dec 16 10:21:26 GMT 2023 , Edited by admin on Sat Dec 16 10:21:26 GMT 2023
SUPERSEDED