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2-isocyanato-5-methylthiophene

2-isocyanato-5-methylthiophene structure

CAS No:
76536-99-7
Formula:
C6H5NOS
Chemical Name:
2-isocyanato-5-methylthiophene
Synonyms:
5-Methylthien-2-yl isocyanate; 5-methyl-2-thienyl isocyanate; 5-methylthiophen-2-isocyanate; 5-methyl-2-thiophene isocyanate; Thiophene,2-isocyanato-5-methyl;

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2-isocyanato-5-methylthiophene Basic Attributes

Molecular Weight：

139.17500

Exact Mass：

139.00918496

DSSTox ID：

DTXSID80469676

Characteristics

PSA：

57.67000

XLogP3：

2.02380

Density：

1.2g/cm3

Boiling Point：

201.182ºC at 760 mmHg

Flash Point：

75.472ºC

Refractive Index：

1.591

Computed Properties

Molecular Weight:139.18
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.00918496
Monoisotopic Mass:139.00918496
Topological Polar Surface Area:57.7
Heavy Atom Count:9
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-isocyanato-5-methylthiophene

Basic Attributes
Characteristics
Computed Properties

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