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2-thiomorpholin-4-ylacetonitrile

2-thiomorpholin-4-ylacetonitrile structure

CAS No:
53515-34-7
Formula:
C6H10N2S
Chemical Name:
2-thiomorpholin-4-ylacetonitrile
Synonyms:
4-Thiomorpholineacetonitrile; 2-thiomorpholin-4-ylethanenitrile; N-thiomorpholinoacetonitrile; thiomorpholin-4-yl-acetonitrile;

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2-thiomorpholin-4-ylacetonitrile Basic Attributes

Molecular Weight：

142.22200

Exact Mass：

142.05646950

DSSTox ID：

DTXSID80380317

HScode：

2934999090

Characteristics

PSA：

52.33000

XLogP3：

0.49668

Density：

1.111g/cm3

Boiling Point：

262.1ºC at 760mmHg

Flash Point：

112.3ºC

Refractive Index：

1.528

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, 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:142.22
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.05646950
Monoisotopic Mass:142.05646950
Topological Polar Surface Area:52.3
Heavy Atom Count:9
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-thiomorpholin-4-ylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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