Dimethyl 3,3'-thiodipropanoate

CAT: 0926-FD05573-01Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FD05573-01Size:1 Kg

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CAS Number

4131-74-2

MDL Number

MFCD00008465

Smiles

COC (=O) CCSCCC (=O) OC

Molecular Formula

C8H14O4S

Molecular Weight

206.26 g/mol

Controlled

Chemical Information

3,3'-Thiobis(methyl propionate)

CAS Number	4131-74-2
PubChem CID	77781
IUPAC Name	methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
Molecular Formula	C8H14O4S
Molecular Weight	206.26
XLogP	0.5
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	152

SMILES

COC(=O)CCSCCC(=O)OC

InChI

InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3

InChIKey

MYWWWNVEZBAKHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4131-74-2

CID: 77781

Formula: C8H14O4S

MW: 206.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.26
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	206.06128010
Monoisotopic Mass	206.06128010
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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