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2-(Isothiocyanatomethyl)thiophene

2-(Isothiocyanatomethyl)thiophene structure

CAS No:
36810-92-1
Formula:
C6H5NS2
Chemical Name:
2-(Isothiocyanatomethyl)thiophene
Synonyms:
2-Isothiocyanatomethyl-thiophene; 2-Thienylmethyl isothiocyanate; Then-2-yl-isothiocyanat; thiophene-2-methyl isothiocyanate;

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2-(Isothiocyanatomethyl)thiophene Basic Attributes

Molecular Weight：

155.24100

Exact Mass：

154.98634151

DSSTox ID：

DTXSID90405181

HScode：

2934999090

Characteristics

PSA：

72.69000

XLogP3：

2.35090

Density：

1.21g/cm3

Boiling Point：

249.6ºC at 760 mmHg

Flash Point：

104.8ºC

Refractive Index：

1.633

Safety Information

GHS Classification：

|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, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:155.2
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.98634151
Monoisotopic Mass:154.98634151
Topological Polar Surface Area:72.7
Heavy Atom Count:9
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Isothiocyanatomethyl)thiophene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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