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Methyl methanethiosulfinate

Methyl methanethiosulfinate structure

CAS No:
13882-12-7
Formula:
C2H6OS2
Chemical Name:
Methyl methanethiosulfinate
Synonyms:
Methanesulfinothioic acid,S-methyl ester;Methanesulfinic acid,thio-,S-methyl ester;S-Methyl thiomethanesulfinate;Methyl methanethiosulfinate;S-Methyl methanethiosulfinate;Dimethyl thiosulfinate;(±)-Methyl methanethiosulfinate;NSC 23129;(Methanesulfinylsulfanyl)methane;85085-08-1

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Methyl methanethiosulfinate Basic Attributes

Molecular Weight：

110.20 g/mol

Exact Mass：

110.20

NSC Number：

23129

Characteristics

PSA：

61.6 Å²

XLogP3：

-0.300 (est)

Density：

1.222 g/cm³ @ Temp: 20 °C

Boiling Point：

64 °C @ Press: 0.5 Torr

Water Solubility：

7.66e+004 mg/L @ 25 °C (est)

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

methyl methane thiosulfinate

Computed Properties

Molecular Weight:110.20
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:109.98600716
Monoisotopic Mass:109.98600716
Topological Polar Surface Area:61.6
Heavy Atom Count:5
Complexity:42.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl methanethiosulfinate

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

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