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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

Molecular Formula C5H9NS
Molecular Weight 115.197
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.
2007 Sep
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:05:22 GMT 2023
Edited
by admin
on Fri Dec 15 19:05:22 GMT 2023
Record UNII
4Y31800S6C
Record Status Validated (UNII)
Record Version
  • Download
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