4,5 dimethylthiazole

4,5 dimethylthiazole
Compound Structure:
Synonyms: 4,5-Dimethyl-1,3-thiazole;Thiazole, 4,5-dimethyl-;4,5-dimethyl thiazole;FEMA No. 3274;MFCD00005336;U3RP5I088G;EINECS 222-703-3;BRN 0105694
Compound ID: NMPC-398
PubChem ID:

62510
Molecular Formula: C5H7NS
Canonical SMILES: CC1=C(SC=N1)C
InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

113.18 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

113.02992040 g/mol

Monoisotopic Mass

113.02992040 g/mol

Topological Polar Surface Area

41.1Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

65.1

Isotope Atom Count

0

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

Physical Description

Solid

Boiling Point

157.00 to 159.00 °C. @ 760.00 mm Hg

Melting Point

83 - 84 °C

Density

1.067-1.072

Solubility 

Soluble in ether

Source: PubChem
Source Species: Eremomastax speciosa
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