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1-Ethoxy-3-isothiocyanatopropane

1-Ethoxy-3-isothiocyanatopropane structure

CAS No:
94231-77-3
Formula:
C6H11NOS
Chemical Name:
1-Ethoxy-3-isothiocyanatopropane
Synonyms:
Propane,1-ethoxy-3-isothiocyanato-;1-Ethoxy-3-isothiocyanatopropane

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1-Ethoxy-3-isothiocyanatopropane Basic Attributes

Molecular Weight：

145.22

Exact Mass：

145.22

EC Number：

303-898-5

DSSTox ID：

DTXSID00241133

HScode：

2930909090

Characteristics

PSA：

53.7

XLogP3：

1.51580

Density：

0.98g/cm3

Boiling Point：

212.1ºC at 760mmHg

Flash Point：

82.1ºC

Refractive Index：

1.476

Safety Information

GHS Classification：

|Danger|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:145.23
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:145.05613515
Monoisotopic Mass:145.05613515
Topological Polar Surface Area:53.7
Heavy Atom Count:9
Complexity:99.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Ethoxy-3-isothiocyanatopropane

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Ethoxy-3-isothiocyanatopropane

SDS

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