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2,2-DIMETHYLTHIOBUTYRICACID

2,2-DIMETHYLTHIOBUTYRICACID structure

CAS No:
75678-47-6
Formula:
C6H12OS
Chemical Name:
2,2-DIMETHYLTHIOBUTYRICACID
Synonyms:
2,2-DIMETHYLTHIOBUTYRIC ACID;Butanethioic acid, 3,3-dimethyl-

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2,2-DIMETHYLTHIOBUTYRICACID Basic Attributes

Molecular Weight：

132.22

Exact Mass：

132.06088618

EC Number：

000-000-0

DSSTox ID：

DTXSID90427383

Characteristics

Density：

0.952±0.06 g/cm3

Boiling Point：

165.3±9.0 °C(Predicted)

Refractive Index：

1.4250

PKA：

4.05±0.10

Safety Information

Packing level：

Hazard category：

Transport codes：

3265

hazard class code：

safety instructions：

26-36/37/39-45

Computed Properties

Molecular Weight:132.23
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:132.06088618
Monoisotopic Mass:132.06088618
Topological Polar Surface Area:18.1
Heavy Atom Count:8
Complexity:96.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-DIMETHYLTHIOBUTYRICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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