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Details

Stereochemistry RACEMIC
Molecular Formula C5H12OS
Molecular Weight 120.213
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-MERCAPTO-3-METHYL-2-BUTANOL, (R,R)-REL-

SMILES

C[C@@H](O)[C@@H](C)CS

InChI

InChIKey=BCYQZLULZVJEII-CRCLSJGQSA-N
InChI=1S/C5H12OS/c1-4(3-7)5(2)6/h4-7H,3H2,1-2H3/t4-,5+/m0/s1

HIDE SMILES / InChI

Molecular Formula C5H12OS
Molecular Weight 120.213
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:15 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:15 GMT 2023
Record UNII
B2O85COI51
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-MERCAPTO-3-METHYL-2-BUTANOL, (R,R)-REL-
Systematic Name English
FEMA NO. 4698, (R,R)-REL-
Code English
2-BUTANOL, 4-MERCAPTO-3-METHYL-, (R*,R*)-
Systematic Name English
Code System Code Type Description
CAS
173948-59-9
Created by admin on Sat Dec 16 15:17:15 GMT 2023 , Edited by admin on Sat Dec 16 15:17:15 GMT 2023
PRIMARY
PUBCHEM
146048040
Created by admin on Sat Dec 16 15:17:15 GMT 2023 , Edited by admin on Sat Dec 16 15:17:15 GMT 2023
PRIMARY
FDA UNII
B2O85COI51
Created by admin on Sat Dec 16 15:17:15 GMT 2023 , Edited by admin on Sat Dec 16 15:17:15 GMT 2023
PRIMARY