Phenylmethanethiosulfonate

CAT: 0024-sc-212554Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212554Size:10 mg

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

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CAS Number

1197-26-8

Chemical Information

S-Phenyl methanesulfonothioate

CAS Number	1197-26-8
PubChem CID	485594
IUPAC Name	methylsulfonylsulfanylbenzene
Molecular Formula	C7H8O2S2
Molecular Weight	188.3
XLogP	1.6
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	197

SMILES

CS(=O)(=O)SC1=CC=CC=C1

InChI

InChI=1S/C7H8O2S2/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

CCUZKOLVVYXTFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1197-26-8

CID: 485594

Formula: C7H8O2S2

MW: 188.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.3
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.99657184
Monoisotopic Mass	187.99657184
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	197
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

Catalog	Name
P335675	Phenylmethanethiosulfonate
MBS6074822-01	Phenylmethanethiosulfonate (Ph-MTS)