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Details

Stereochemistry RACEMIC
Molecular Formula C7H16OS
Molecular Weight 148.266
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTO-4-HEPTANOL, (R,S)-REL-

SMILES

CCC[C@@H](O)C[C@H](C)S

InChI

InChIKey=WCMYMGMOAOAROK-NKWVEPMBSA-N
InChI=1S/C7H16OS/c1-3-4-7(8)5-6(2)9/h6-9H,3-5H2,1-2H3/t6-,7+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
FEMA NO. 4733, (R,S)-REL-
Preferred Name English
2-MERCAPTO-4-HEPTANOL, (R,S)-REL-
Systematic Name English
4-HEPTANOL, 2-MERCAPTO-, (2R,4S)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
0UP5QG4Z2Z
Created by admin on Wed Apr 02 00:09:26 GMT 2025 , Edited by admin on Wed Apr 02 00:09:26 GMT 2025
PRIMARY
PUBCHEM
125475241
Created by admin on Wed Apr 02 00:09:26 GMT 2025 , Edited by admin on Wed Apr 02 00:09:26 GMT 2025
PRIMARY
CAS
1781256-24-3
Created by admin on Wed Apr 02 00:09:26 GMT 2025 , Edited by admin on Wed Apr 02 00:09:26 GMT 2025
PRIMARY
NIH
NCATS
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