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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11N3S
Molecular Weight 145.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Butyraldehyde, thiosemicarbazone

SMILES

CCC\C=N\NC(N)=S

InChI

InChIKey=PHSFCDXVZZLETR-QPJJXVBHSA-N
InChI=1S/C5H11N3S/c1-2-3-4-7-8-5(6)9/h4H,2-3H2,1H3,(H3,6,8,9)/b7-4+

HIDE SMILES / InChI

Molecular Formula C5H11N3S
Molecular Weight 145.226
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:35:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:01 GMT 2025
Record UNII
9BU6GJ8URC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-42178
Preferred Name English
Butyraldehyde, thiosemicarbazone
Systematic Name English
AI3-22895
Code English
2-Butylidenehydrazinecarbothioamide
Systematic Name English
Hydrazinecarbothioamide, 2-butylidene-
Systematic Name English
Butyraldehyde thiosemicarbazone
Systematic Name English
Code System Code Type Description
FDA UNII
9BU6GJ8URC
Created by admin on Tue Apr 01 19:35:01 GMT 2025 , Edited by admin on Tue Apr 01 19:35:01 GMT 2025
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EPA CompTox
DTXSID60943060
Created by admin on Tue Apr 01 19:35:01 GMT 2025 , Edited by admin on Tue Apr 01 19:35:01 GMT 2025
PRIMARY
PUBCHEM
9554787
Created by admin on Tue Apr 01 19:35:01 GMT 2025 , Edited by admin on Tue Apr 01 19:35:01 GMT 2025
PRIMARY
CAS
20812-04-8
Created by admin on Tue Apr 01 19:35:01 GMT 2025 , Edited by admin on Tue Apr 01 19:35:01 GMT 2025
PRIMARY
NSC
42178
Created by admin on Tue Apr 01 19:35:01 GMT 2025 , Edited by admin on Tue Apr 01 19:35:01 GMT 2025
PRIMARY