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2-Thienylisocyanate

2-Thienylisocyanate structure

CAS No:
2048-57-9
Formula:
C5H3NOS
Chemical Name:
2-Thienylisocyanate
Synonyms:
2-THIENYL ISOCYANATE;2-isocyanatothiophene;Thiophene, 2-isocyanato-;2-Thienylisocyanate;Thiophene,2-isocyanato-;thienyl isocyanate;isocyanatothiophene;thiophen-2-isocyanate;2-thiophene-yl isocyanate;SCHEMBL546504
Categories:
Chemical Reagents > Organic Reagents

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2-Thienylisocyanate Basic Attributes

Molecular Weight：

125.15

Exact Mass：

124.993530

DSSTox ID：

DTXSID10380027

HScode：

2934999090

Characteristics

PSA：

57.7

XLogP3：

2.26

Density：

1.2±0.1 g/cm3

Melting Point：

108 °C

Boiling Point：

36-38°C1mm

Flash Point：

51.5±19.8 °C

Refractive Index：

1.607

Vapor Pressure：

2.268mmHg at 25°C

Safety Information

Transport codes：

2206

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36/37/39-3

Marks：

C,Xn

Hazard note：

Harmful/Corrosive/Lachrymatory/Moisture Sensitive

Computed Properties

Molecular Weight:125.15
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:124.99353489
Monoisotopic Mass:124.99353489
Topological Polar Surface Area:57.7
Heavy Atom Count:8
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Triethylamine