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METHYL 2-ISOTHIOCYANATOACETATE

METHYL 2-ISOTHIOCYANATOACETATE structure

METHYL 2-ISOTHIOCYANATOACETATE 

structure
  • CAS No:

    21055-37-8

  • Formula:

    C4H5NO2S

  • Chemical Name:

    METHYL 2-ISOTHIOCYANATOACETATE

  • Synonyms:

    methyl 2-isothiocyanato acetate; methyl 2-isothiocyanatoethanoate; isothiocyanato-acetic acid methyl ester; Methyl 2-isothiocyanatoacetate; Isothiocyanato-essigsaeuremethylester; Methyl isothiocyanatoacetate; 2-Isothiocyanatoethansaeure-methylester;Expand

METHYL 2-ISOTHIOCYANATOACETATE Basic Attributes

131.15300

131.00409958 g/mol

218418

DTXSID30175275

2930909090

Characteristics

70.75000

0.26220

beige liquid, irritating odor

1.21g/cm3

138ºC

137-138ºC

1.52

0.454mmHg at 25°C

Safety Information

II

6.1

UN 2927

R20/21/22; R34

S26-S36-S36/37/39

T

Computed Properties

Molecular Weight:131.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:131.00409958
Monoisotopic Mass:131.00409958
Topological Polar Surface Area:70.8
Heavy Atom Count:8
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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