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Home > Encyclopedia > 5-Isoxazolecarbothioamide

5-Isoxazolecarbothioamide

5-Isoxazolecarbothioamide structure

5-Isoxazolecarbothioamide 

structure
  • CAS No:

    175334-72-2

  • Formula:

    C4H4N2OS

  • Chemical Name:

    5-Isoxazolecarbothioamide

  • Synonyms:

    5-Isoxazolecarbothioamide;1,2-Oxazole-5-carbothioamide

5-Isoxazolecarbothioamide Basic Attributes

128.15200

128.15

DTXSID00384079

2934999090

Characteristics

84.14000

1.00910

1.392g/cm3

287.2ºC at 760 mmHg

127.5ºC

1.632

0.00251mmHg at 25°C

Safety Information

R36/37/38

S26; S36/37/39

Xi

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:128.15
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:128.00443393
Monoisotopic Mass:128.00443393
Topological Polar Surface Area:84.1
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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