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2-Isobutylthiophene

2-Isobutylthiophene structure

CAS No:
32741-05-2
Formula:
C8H12S
Chemical Name:
2-Isobutylthiophene
Synonyms:
2-Isobutylthiophene;2-(2-methylpropyl)thiophene;Thiophene, 2-(2-methylpropyl)-;2-iso-Butylthiophene;2-Isobutyl-thiophene;2-Isobutylthiophene #;SCHEMBL91135;DTXSID00340670;ZINC40433850;AKOS006309827
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Isobutylthiophene Basic Attributes

Molecular Weight：

140.25

Exact Mass：

140.06600

DSSTox ID：

DTXSID00340670

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

2.94660

Density：

0.966

Melting Point：

-56.9°C (estimate)

Boiling Point：

174 °C

Flash Point：

40 °C

Refractive Index：

1.4982

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:140.25
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:140.06597156
Monoisotopic Mass:140.06597156
Topological Polar Surface Area:28.2
Heavy Atom Count:9
Complexity:78.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes