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3-ETHOXYPHENYLISOTHIOCYANATE

3-ETHOXYPHENYLISOTHIOCYANATE structure

CAS No:
3701-44-8
Formula:
C9H9NOS
Chemical Name:
3-ETHOXYPHENYLISOTHIOCYANATE
Synonyms:
1-ethoxy-3-isothiocyanatobenzene;3-ETHOXYPHENYLISOTHIOCYANATE;3-ethoxy-phenyl isothiocyanate;Benzene,1-ethoxy-3-isothiocyanato-;3-ethoxyphenyl isothiocyanate;SCHEMBL3085833;CTK4H7559;DTXSID80633971;DL-PANTOTHENICACIDCALCIUMSALT;ZINC49568726

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3-ETHOXYPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

179.24

Exact Mass：

179.04

DSSTox ID：

DTXSID80633971

Characteristics

PSA：

53.7

XLogP3：

Density：

1.1784 (rough estimate)

Water Solubility：

68.11mg/L(25 ºC)

Computed Properties

Molecular Weight:179.24
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:53.7
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-ETHOXYPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Computed Properties

3-ETHOXYPHENYLISOTHIOCYANATE

SDS

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