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3-isothiocyanatopropanenitrile

3-isothiocyanatopropanenitrile structure

CAS No:
18967-32-3
Formula:
C4H4N2S
Chemical Name:
3-isothiocyanatopropanenitrile
Synonyms:
2-Cyanoethyl isothiocyanate;3-isothiocyanatopropanenitrile;18967-32-3;ISOTHIOCYANIC ACID, 2-CYANOETHYL ESTER;BRN 1701175;4-04-00-02556 (Beilstein Handbook Reference);SCHEMBL7094937;DTXSID40172376

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3-isothiocyanatopropanenitrile Basic Attributes

Molecular Weight：

112.16 g/mol

Exact Mass：

112.00951931 g/mol

DSSTox ID：

DTXSID40172376

Characteristics

PSA：

68.2 Å²

Computed Properties

Molecular Weight:112.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:112.00951931
Monoisotopic Mass:112.00951931
Topological Polar Surface Area:68.2
Heavy Atom Count:7
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-isothiocyanatopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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