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4,5-dimethyl-3H-1,3-oxazole-2-thione

4,5-dimethyl-3H-1,3-oxazole-2-thione structure

CAS No:
6670-14-0
Formula:
C5H7NOS
Chemical Name:
4,5-dimethyl-3H-1,3-oxazole-2-thione
Synonyms:
4,5-dimethyl-1,3-oxazole-2-thiol;4,5-dimethyl-3H-1,3-oxazole-2-thione;2(3H)-Oxazolethione, 4,5-dimethyl-;dimethyl-1,3-oxazole-2-thiol;2(3H)-Oxazolethione,4,5-dimethyl-;4,5-dimethyl-2-mercapto-1,3-oxazole;NSC129747;ACMC-209nwb;4,5-Dimethyloxazole-2-thiol;SCHEMBL113400

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4,5-dimethyl-3H-1,3-oxazole-2-thione Basic Attributes

Molecular Weight：

129.177

Exact Mass：

129.02500

NSC Number：

129747

DSSTox ID：

DTXSID50216851

HScode：

2934999090

Characteristics

PSA：

53.4

XLogP3：

1.95400

Density：

1.23g/cm3

Melting Point：

137 °C

Boiling Point：

156.5ºC at 760 mmHg

Flash Point：

48.4ºC

Refractive Index：

1.583

Safety Information

safety instructions：

26-39

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:129.18
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:129.02483502
Monoisotopic Mass:129.02483502
Topological Polar Surface Area:53.4
Heavy Atom Count:8
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-dimethyl-3H-1,3-oxazole-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

4,5-dimethyl-3H-1,3-oxazole-2-thione

SDS

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