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Details

Stereochemistry ACHIRAL
Molecular Formula C3H3NO2S
Molecular Weight 117.126
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHOXYCARBONYL ISOTHIOCYANATE

SMILES

COC(=O)N=C=S

InChI

InChIKey=LBFAAYMITJMZOC-UHFFFAOYSA-N
InChI=1S/C3H3NO2S/c1-6-3(5)4-2-7/h1H3

HIDE SMILES / InChI

Molecular Formula C3H3NO2S
Molecular Weight 117.126
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 17:48:26 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:26 GMT 2025
Record UNII
TQ23DF3GED
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHOXYCARBONYL ISOTHIOCYANATE
Common Name English
METHYL ISOTHIOCYANATOFORMATE
Preferred Name English
CARBON(ISOTHIOCYANATIDIC) ACID, METHYL ESTER
Common Name English
Code System Code Type Description
CAS
35266-49-0
Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025
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FDA UNII
TQ23DF3GED
Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID90956709
Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025
PRIMARY
PUBCHEM
552246
Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025
PRIMARY