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Home > Encyclopedia > 3-isothiocyanatoprop-1-yne

3-isothiocyanatoprop-1-yne

3-isothiocyanatoprop-1-yne structure

3-isothiocyanatoprop-1-yne 

structure
  • CAS No:

    24309-48-6

  • Formula:

    C4H3NS

  • Chemical Name:

    3-isothiocyanatoprop-1-yne

  • Synonyms:

    Propargyl isothiocyanate;3-isothiocyanatoprop-1-yne;2-Propynyl thiocyanate;24309-48-6;Thiocyanic acid, 2-propynyl ester;Propargylisothiocyanate;54122-88-2;CHEMBL401514;C4H3NS;BRN 1735709;1-Propyne, 3-isothiocyanato-;3-Isothiocyanato-1-propyne;0-03-00-00178 (Beilstein Handbook Reference);3-Isothiocyanato-1-propyne #;XCXOHPXTLZMKQJ-UHFFFAOYSA-;DTXSID20179045;ZINC2528120;8190AD;BDBM50203068;MFCD00060417;AKOS000211995;NE50090;FT-0682056;J-015441

3-isothiocyanatoprop-1-yne Basic Attributes

97.14 g/mol

96.99862027 g/mol

DTXSID20179045

Characteristics

44.4 Ų

Safety Information

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P310, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, 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:97.14
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:96.99862027
Monoisotopic Mass:96.99862027
Topological Polar Surface Area:44.4
Heavy Atom Count:6
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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