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Home > Encyclopedia > 3-(Methylthio)phenyl isocyanate

3-(Methylthio)phenyl isocyanate

3-(Methylthio)phenyl isocyanate structure

3-(Methylthio)phenyl isocyanate 

structure
  • CAS No:

    28479-19-8

  • Formula:

    C8H7NOS

  • Chemical Name:

    3-(Methylthio)phenyl isocyanate

  • Synonyms:

    Benzene,1-isocyanato-3-(methylthio)-;Isocyanic acid,m-(methylthio)phenyl ester;1-Isocyanato-3-(methylthio)benzene;m-(Methylthio)phenyl isocyanate;3-(Methylthio)phenyl isocyanate;3-(Methylmercapto)phenyl isocyanate;1-Isocyanato-3-(methylsulfanyl)benzene;3-(Methylsulfanyl)phenylisocyanate

3-(Methylthio)phenyl isocyanate Basic Attributes

165.21200

165.21

626-058-2

DTXSID90182708

2930909090

Characteristics

54.73000

2.37580

1.199 g/mL

120-121.5 °C @ Press: 10 Torr

106.9ºC

n20/D 1.603(lit.)

0.0186mmHg at 25°C

Safety Information

III

6.1

UN 2922 8/PG 2

3

R20/22; R36/37/38; R42

S23-S26-S36/37/39-S45

Xn

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:165.21
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:54.7
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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