(3R)-3-Mercaptohexyl Hexanoate

CAT: 0572-TRC-M201010-100MGSize: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0572-TRC-M201010-100MGSize:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

145937-75-3

Hazard Statement

No Data Available

Smiles

CCC[C@@H](S)CCOC(CCCCC)=O

Molecular Formula

C12H24O2S

Molecular Weight

232.38

Chemical Information

(3R)-3-Mercaptohexyl Hexanoate

CAS Number	145937-75-3
PubChem CID	76962603
IUPAC Name	[(3R)-3-sulfanylhexyl] hexanoate
Molecular Formula	C12H24O2S
Molecular Weight	232.38
XLogP	4
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	160

SMILES

CCCCCC(=O)OCC[C@@H](CCC)S

InChI

InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3/t11-/m1/s1

InChIKey

KVXKOWZLYWBURN-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 145937-75-3

CID: 76962603

Formula: C12H24O2S

MW: 232.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.38
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	232.14970118
Monoisotopic Mass	232.14970118
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-M192460-500MG	3-Mercaptohexyl Hexanoate
TRC-M298340-100MG	(3S)-3-Mercaptohexyl Hexanoate
TRC-M548440-100MG	(3R)-3-Mercaptohexyl Acetate
TRC-M359900-100MG	(3R)-3-Mercaptohexyl Butyrate
TRC-M299210-100MG	(3S)-3-Mercaptohexyl Butyrate
TRC-M629180-100MG	(3S)-3-Mercaptohexyl Acetate
TRC-M288100-10G	Methyl (3R)-3-(tert-Butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate
TRC-M288100-25G	Methyl (3R)-3-(tert-Butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate
TRC-M288100-100G	Methyl (3R)-3-(tert-Butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate
G615560	Glycidyl Hexanoate

Catalog	Name
31501-11-8	Cis-3-Hexenyl hexanoate (Leaf hexanoate)
454582-01	Methyl (3R) -3- (tert-Butyldimethylsilanyloxy) -5-oxo-6- (triphenylphosphanylidene) hexanoate
IDA03661-01	Ingenol 3-hexanoate
T5598-01	Cis-3-Hexenyl hexanoate
JH332786	Pentan-3-yl hexanoate
AR-B05576-01	(R) -Ethyl-3- (bromomethyl) hexanoate
HY-W014933R-01	Cis-3-Hexenyl Hexanoate (Standard)
GDD43591-01	(R) -Ethyl 3- (bromomethyl) hexanoate
MBS6035037-01	Ethyl 3-(1,3-Dioxolane)hexanoate
E8605-70	Ethyl 3- (1,3-Dioxolane) hexanoate