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3-Thienyl isocyanate

3-Thienyl isocyanate structure

CAS No:
76536-95-3
Formula:
C5H3NOS
Chemical Name:
3-Thienyl isocyanate
Synonyms:
3-THIENYL ISOCYANATE;3-ISOCYANATOTHIOPHENE;Thiophene, 3-isocyanato- (9CI);3-THIENYL ISOCYANATE, 98+%;Thien-3-yl isocyanate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Thienyl isocyanate Basic Attributes

Molecular Weight：

125.15

Exact Mass：

124.993530

DSSTox ID：

DTXSID40380030

HScode：

2934999090

Characteristics

PSA：

57.7

XLogP3：

2.26

Density：

1.2±0.1 g/cm3

Boiling Point：

36 °C

Flash Point：

51.5±19.8 °C

Refractive Index：

1.607

Safety Information

Transport codes：

2206

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-3

Marks：

Hazard note：

Harmful/Corrosive/Lachrymatory/Moisture Sensitive

Computed Properties

Molecular Weight:125.15
XLogP3:2.4
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