Bis (4-mercaptophenyl) ether

CAT: 0926-FB152429-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FB152429-01Size:50 g

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CAS Number

17527-79-6

MDL Number

MFCD00054506

Smiles

C1=CC (=CC=C1OC2=CC=C (C=C2) S) S

Molecular Formula

C12H10OS2

Molecular Weight

234.34 g/mol

Controlled

Chemical Information

Bis(4-mercaptophenyl) ether

CAS Number	17527-79-6
PubChem CID	4245470
IUPAC Name	4-(4-sulfanylphenoxy)benzenethiol
Molecular Formula	C12H10OS2
Molecular Weight	234.3
XLogP	3
Topological Polar Surface Area	11.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	162

SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)S)S

InChI

InChI=1S/C12H10OS2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14-15H

InChIKey

WREGWRFRXHKFGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17527-79-6

CID: 4245470

Formula: C12H10OS2

MW: 234.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.3
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	234.01730729
Monoisotopic Mass	234.01730729
Topological Polar Surface Area	11.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	162
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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