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Details

Stereochemistry ACHIRAL
Molecular Formula C4H10S
Molecular Weight 90.187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTANETHIOL

SMILES

CC(C)CS

InChI

InChIKey=BDFAOUQQXJIZDG-UHFFFAOYSA-N
InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C4H10S
Molecular Weight 90.187
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

04921855
3
07897628
7
08063081
7
08188139
1
08829034
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:57 GMT 2023
Edited
by admin
on Fri Dec 15 18:25:57 GMT 2023
Record UNII
9H070UFP2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTANETHIOL
Systematic Name English
2-METHYL-1-PROPANETHIOL
FHFI  
Systematic Name English
FEMA NO. 3874
Code English
2-METHYL-1-PROPANETHIOL [FHFI]
Common Name English
ISOBUTYL MERCAPTAN [MI]
Common Name English
ISOBUTYL MERCAPTAN
MI  
Systematic Name English
2-METHYLPROPYL MERCAPTAN
Systematic Name English
ISOBUTYL THIOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYL-1-PROPANETHIOL
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
Code System Code Type Description
PUBCHEM
10558
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-162-6
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID9060156
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
125
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
FDA UNII
9H070UFP2X
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
MERCK INDEX
m6462
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY Merck Index
CAS
513-44-0
Created by admin on Fri Dec 15 18:25:57 GMT 2023 , Edited by admin on Fri Dec 15 18:25:57 GMT 2023
PRIMARY
NIH
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