DoPAT

CAT: 0013-GTR19155335Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19155335Size:10 mg

Selected

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

Quick Request Actions

Description

DoPAT

CAS Number

558484-21-2

Purity

>98%

Smiles

C (SC (=S) SC (C) C (O) =O) CCCCCCCCCCC

Molecular Formula

C16H30O2S3

Molecular Weight

350.603201389313

Notes

For research use only.

Chemical Information

2-(((Dodecylthio)carbonothioyl)thio)propanoic acid

See other relationships...

CAS Number	558484-21-2
PubChem CID	59347140
IUPAC Name	2-dodecylsulfanylcarbothioylsulfanylpropanoic acid
Molecular Formula	C16H30O2S3
Molecular Weight	350.6
XLogP	7.8
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Heavy Atom Count	21
Formal Charge	0
Complexity	283

SMILES

CCCCCCCCCCCCSC(=S)SC(C)C(=O)O

InChI

InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)

InChIKey

CFCFZJHCTNKHGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 558484-21-2

CID: 59347140

Formula: C16H30O2S3

MW: 350.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.6
XLogP3	7.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	350.14079372
Monoisotopic Mass	350.14079372
Topological Polar Surface Area	120 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	283
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes