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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9NS
Molecular Weight 115.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ISOTHIOCYANATE

SMILES

CCCCN=C=S

InChI

InChIKey=LIMQQADUEULBSO-UHFFFAOYSA-N
InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification.
2010 Mar 24
Patents
Name Type Language
BUTYL ISOTHIOCYANATE
FHFI   USP-RS  
Systematic Name English
BUTANE, 1-ISOTHIOCYANATO-
Systematic Name English
NSC-194808
Code English
N-BUTYL ISOTHIOCYANATE
Common Name English
ISOTHIOCYANIC ACID, BUTYL ESTER
Common Name English
FEMA NO. 4082
Code English
BUTYL ISOTHIOCYANATE [USP-RS]
Common Name English
BUTYL ISOTHIOCYANATE [FHFI]
Common Name English
BUTYL MUSTARD OIL
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BUTYL ISOTHIOCYANATE
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
Code System Code Type Description
PUBCHEM
11613
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID7060467
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
CAS
592-82-5
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
NSC
194808
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-770-4
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
CHEBI
50534
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
FDA UNII
4Y31800S6C
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
JECFA MONOGRAPH
1552
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
RS_ITEM_NUM
1082640
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY
MESH
C039156
Created by admin on Fri Dec 15 19:05:22 GMT 2023 , Edited by admin on Fri Dec 15 19:05:22 GMT 2023
PRIMARY