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S-TERT-BUTYLTHIOACETATE

S-TERT-BUTYLTHIOACETATE structure

CAS No:
999-90-6
Formula:
C6H12OS
Chemical Name:
S-TERT-BUTYLTHIOACETATE
Synonyms:
CH3C(O)SC(CH3)3;S-TERT-BUTYL THIOACETATE;S-(tert-Butyl) ethanethioate;S-tert-Butyl thioacetate 98%;Thioacetic acid S-tert-butyl ester;Thioacetic acid S-(tert-butyl) ester;Ethanethioic acid S-tert-butyl ester
Categories:
Chemical Reagents > Organic Reagents

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S-TERT-BUTYLTHIOACETATE Basic Attributes

Molecular Weight：

132.22

Exact Mass：

132.06100

DSSTox ID：

DTXSID50244290

HScode：

2930909090

Characteristics

PSA：

42.37000

XLogP3：

2.06460

Density：

0.953g/cm3

Boiling Point：

135-136 °C(lit.)

Flash Point：

93 °F

Refractive Index：

n20/D 1.453(lit.)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

23-24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:132.23
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:132.06088618
Monoisotopic Mass:132.06088618
Topological Polar Surface Area:42.4
Heavy Atom Count:8
Complexity:91.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes