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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2S
Molecular Weight 218.356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Methylheptyl 3-mercaptopropionate

SMILES

CC(C)CCCCCOC(=O)CCS

InChI

InChIKey=ZHUWXKIPGGZNJW-UHFFFAOYSA-N
InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H22O2S
Molecular Weight 218.356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:53 GMT 2023
Edited
by admin
on Fri Dec 15 19:43:53 GMT 2023
Record UNII
GQ2YYL7PUF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Methylheptyl 3-mercaptopropionate
Systematic Name English
6-Methylheptyl 3-mercaptopropanoate
Systematic Name English
ISOOCTYL MERCAPTOPROPIONATE
Systematic Name English
Propionic acid, 3-mercapto-, 6-methylheptyl ester
Common Name English
3-Mercaptopropionic acid isooctyl ester
Common Name English
Isooctyl 3-mercaptopropionate
Systematic Name English
Propanoic acid, 3-mercapto-, 6-methylheptyl ester
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-157-6
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
PRIMARY
FDA UNII
GQ2YYL7PUF
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
PRIMARY
CAS
89136-90-3
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
PRIMARY
PUBCHEM
104386
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID70274150
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
PRIMARY
CAS
30374-01-7
Created by admin on Fri Dec 15 19:43:53 GMT 2023 , Edited by admin on Fri Dec 15 19:43:53 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY