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5-PHENYL-2-THIENYLISOCYANATE

5-PHENYL-2-THIENYLISOCYANATE structure

CAS No:
321309-34-6
Formula:
C11H7NOS
Chemical Name:
5-PHENYL-2-THIENYLISOCYANATE
Synonyms:
Thiophene, 2-isocyanato-5-phenyl- (9CI);5-PHENYL-2-THIENYL ISOCYANATE;Thiophene, 2-isocyanato-5-phenyl-

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5-PHENYL-2-THIENYLISOCYANATE Basic Attributes

Molecular Weight：

201.24

Exact Mass：

201.02483502

DSSTox ID：

DTXSID90379979

Characteristics

PSA：

57.67000

XLogP3：

3.38240

Density：

1.18±0.1 g/cm3

Boiling Point：

327.7±30.0 °C(Predicted)

Flash Point：

152ºC

Refractive Index：

1.625

Safety Information

Transport codes：

2206

hazard class code：

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

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Computed Properties

Molecular Weight:201.25
XLogP3:4.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:201.02483502
Monoisotopic Mass:201.02483502
Topological Polar Surface Area:57.7
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-PHENYL-2-THIENYLISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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