Trimethylene Di(thiotosylate)

CAT: 0572-TRC-T796183-5GSize: 5 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-T796183-5GSize:5 g

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CAS Number

3866-79-3

Synonyms

4-Methyl-benzenesulfonothioic Acid S,S'-1,3-Propanediyl Ester;1,3-Bis(4-methylbenzenesulfonylthio)propane;1,3-Propanedithiol Ditosylate;NSC 82472;Trimethylene di-p-Toluenethiosulfonate;

Hazard Statement

No Data Available

Smiles

Cc1ccc(cc1)S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2

Molecular Formula

C17H20O4S4

Molecular Weight

416.6

Shipping Conditions

Room Temperature

Chemical Information

Trimethylene di(thiotosylate)

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CAS Number	3866-79-3
PubChem CID	256129
IUPAC Name	1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene
Molecular Formula	C17H20O4S4
Molecular Weight	416.6
XLogP	4.1
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	534

SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20O4S4/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3

InChIKey

QOICHLMIPNOKLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3866-79-3

CID: 256129

Formula: C17H20O4S4

MW: 416.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	416.6
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	416.02444381
Monoisotopic Mass	416.02444381
Topological Polar Surface Area	136 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	534
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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Alternative Products

Catalog	Name
468219-01	Trimethylene Di (thiotosylate)
OR1079706-01	Trimethylene Di (thiotosylate) [Protecting Reagent for Active Methylene]
sc-253454	S, S'-Trimethylene di (p-toluenethiosulfonate)
sc-233743	9,9-Di (2-ethylhexyl) fluorene-2,7-bis (trimethylene borate) solution
sc-294570A	Ethylene di (thiotosylate)
OR1079705-01	Ethylene Di (thiotosylate) [Protecting Reagent for Active Methylene]
52656171	Potassium thiotosylate
T21150-01	Trimethylene carbonate
290793-01	Trimethylene sulfide
sc-357407	Trimethylene oxide

Trimethylene Di(thiotosylate)

Chemical Information

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