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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO4S
Molecular Weight 253.274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5-Trimethoxybenzoyl isothiocyanate

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)N=C=S

InChI

InChIKey=SRJJUWPSSFADES-UHFFFAOYSA-N
InChI=1S/C11H11NO4S/c1-14-8-4-7(11(13)12-6-17)5-9(15-2)10(8)16-3/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H11NO4S
Molecular Weight 253.274
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 19:13:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:13:44 GMT 2025
Record UNII
ZVD3EJ8E92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-57734
Preferred Name English
3,4,5-Trimethoxybenzoyl isothiocyanate
Systematic Name English
Benzoyl isothiocyanate, 3,4,5-trimethoxy-
Systematic Name English
Code System Code Type Description
CAS
6939-63-5
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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PUBCHEM
81358
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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FDA UNII
ZVD3EJ8E92
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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NSC
57734
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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ECHA (EC/EINECS)
230-074-1
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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EPA CompTox
DTXSID30219507
Created by admin on Tue Apr 01 19:13:44 GMT 2025 , Edited by admin on Tue Apr 01 19:13:44 GMT 2025
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