Methyl-13C Methanethiosulfonate

CAT: 0572-TRC-M321502-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M321502-100MGSize:100 mg

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CAS Number

1309943-60-9

Synonyms

Methanesulfonothioic Acid S-Methyl Ester-13C; Thiomethanesulfonic Acid S-Methyl Ester-13C; MMTS-13C; NSC 21545-13C; S-Methyl Methanesulfonothioate-13C; S-Methyl Methanethiosulfonate-13C;

Hazard Statement

Combustible liquid and vapour; UN number: UN3334; Packing Group: III

Smiles

O=S(S[13CH3])(C)=O

Molecular Formula

C13CH6O2S2

Molecular Weight

127.19

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Methyl Methanethiosulfonate-13C

CAS Number	1309943-60-9
PubChem CID	71309795
IUPAC Name	methylsulfonylsulfanyl(113C)methane
Molecular Formula	C2H6O2S2
Molecular Weight	127.20
XLogP	0
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	106

SMILES

CS(=O)(=O)S[13CH3]

InChI

InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3/i1+1

InChIKey

XYONNSVDNIRXKZ-OUBTZVSYSA-N

Chemical Structure

2D Structure

CAS: 1309943-60-9

CID: 71309795

Formula: C2H6O2S2

MW: 127.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	127.20
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	126.98427661
Monoisotopic Mass	126.98427661
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	106
Isotope Atom Count	1
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

Related Products

Catalog	Name
TRC-M321502-10MG	Methyl Methanethiosulfonate-13C
TRC-M321500-100MG	Methyl Methanethiosulfonate
TRC-M321500-5G	Methyl Methanethiosulfonate
TRC-M321500-1G	Methyl Methanethiosulfonate
TRC-T795920-1G	[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide
TRC-M275354-100MG	Methyl Acetate-13C
TRC-I350251-10MG	Imidazole-4-methyl Methanethiosulfonate Hydrochloride
TRC-I350251-100MG	Imidazole-4-methyl Methanethiosulfonate Hydrochloride
TRC-T795920-100MG	[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide
TRC-M377332-10MG	2′-O-MethylA(Methyl-13C)

Alternative Products

Catalog	Name
MBS6108449-01	Methyl Methanethiosulfonate-13C
sc-211882A	Methyl Methanethiosulfonate
MBS6095508-01	Methyl Methanethiosulfonate (MMTS)
AR-N08460-01	S-Methyl Methanethiosulfonate
014762	Imidazole-4-methyl Methanethiosulfonate Hydrochloride
sc-208558	[1- (Trimethylammonium) methyl] Methanethiosulfonate Bromide
MBS6096164-01	[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide (MTSMT)
T8488-15	4- (Trimethylammonium) methyl]benzyl Methanethiosulfonate Chloride
sc-217771	[Bis (t-Boc) amino]methyl Methanethiosulfonate
T8488-18	[1- (Trimethylammonium) methyl] Methanethiosulfonate Bromide (MTSMT)

Methyl-13C Methanethiosulfonate

Chemical Information

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