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Details

Stereochemistry MIXED
Molecular Formula C8H18OS2
Molecular Weight 194.358
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL

SMILES

CC(O)C(C)SC(C)C(C)S

InChI

InChIKey=PHLKBLKTWMSFGF-UHFFFAOYSA-N
InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H18OS2
Molecular Weight 194.358
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:28 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:28 GMT 2023
Record UNII
T27YXW53EF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL
Systematic Name English
THIONOL 966
Brand Name English
FEMA NO. 3509
Code English
.ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL .ALPHA.'-METHYL-.BETA.'-HYDROXYPROPYL SULFIDE
Common Name English
ROASTED BUTANOL
Common Name English
3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL, (±)-
Systematic Name English
.ALPHA.-METHYL-.BETA.-HYDROXYPROPYL.ALPHA.-METHYL-.BETA.-MERCAPTOPROPYL SULFIDE [FHFI]
Common Name English
(±)-3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-2-BUTANOL
Systematic Name English
2-BUTANOL, 3-((2-MERCAPTO-1-METHYLPROPYL)THIO)-
Systematic Name English
Code System Code Type Description
JECFA MONOGRAPH
496
Created by admin on Fri Dec 15 18:29:28 GMT 2023 , Edited by admin on Fri Dec 15 18:29:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID90866455
Created by admin on Fri Dec 15 18:29:28 GMT 2023 , Edited by admin on Fri Dec 15 18:29:28 GMT 2023
PRIMARY
CAS
54957-02-7
Created by admin on Fri Dec 15 18:29:28 GMT 2023 , Edited by admin on Fri Dec 15 18:29:28 GMT 2023
PRIMARY
PUBCHEM
62090
Created by admin on Fri Dec 15 18:29:28 GMT 2023 , Edited by admin on Fri Dec 15 18:29:28 GMT 2023
PRIMARY
FDA UNII
T27YXW53EF
Created by admin on Fri Dec 15 18:29:28 GMT 2023 , Edited by admin on Fri Dec 15 18:29:28 GMT 2023
PRIMARY