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S,S-Dimethyl dithiocarbonate

S,S-Dimethyl dithiocarbonate structure

CAS No:
868-84-8
Formula:
C3H6OS2
Chemical Name:
S,S-Dimethyl dithiocarbonate
Synonyms:
Carbonodithioic acid,S,S-dimethyl ester;Carbonic acid,dithio-,S,S-dimethyl ester;S,S-Dimethyl dithiocarbonate;S,S′-Dimethyldithiocarbonate;NSC 227849;Dithiocarbonic acid S,S′-dimethyl ester
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

White or almost white crystalline

S,S-Dimethyl dithiocarbonate Basic Attributes

Molecular Weight：

122.21

Exact Mass：

122.21

EC Number：

617-931-9

NSC Number：

227849

DSSTox ID：

DTXSID20310491

HScode：

2930902000

Characteristics

PSA：

67.67000

XLogP3：

1.83240

Density：

1.1838 g/cm³ @ Temp: 25 °C

Melting Point：

133-135 °C

Boiling Point：

67-69 °C @ Press: 20 Torr

Flash Point：

144 °F

Refractive Index：

n20/D 1.5485

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

S,S-Dimethyl dithiocarbonate Use and Manufacturing

Used in the manufacture of cimetidine intermediates.

Computed Properties

Molecular Weight:122.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:121.98600716
Monoisotopic Mass:121.98600716
Topological Polar Surface Area:67.7
Heavy Atom Count:6
Complexity:46.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S,S-Dimethyl dithiocarbonate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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S,S-Dimethyl dithiocarbonate

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