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2-Thiophenecarbothioamide

2-Thiophenecarbothioamide structure

2-Thiophenecarbothioamide 

structure
  • CAS No:

    20300-02-1

  • Formula:

    C5H5NS2

  • Chemical Name:

    2-Thiophenecarbothioamide

  • Synonyms:

    2-Thiophenecarbothioamide;2-Thiophenecarboxamide,thio-;2-Thienylthiocarboxamide;2-Thiophenethiocarboxamide;2-Thiocarbamoylthiophene;2-(Aminothiocarbonyl)thiophene;Thiophene-2-carbothioic acid amide;Thien-2-carbothioic acid amide

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Thiophenecarbothioamide Basic Attributes

143.23

143.23

DTXSID50353210

2934999090

Characteristics

86.4

1.3

1.4±0.1 g/cm3

110-111 °C @ Solvent: Water

259.5°C at 760 mmHg

110.7±25.1 °C

1.701

Insoluble in water.

Safety Information

III

6.1

2811

R25

S22-S36/37/39-S45

Xi:Irritant;

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301

|Danger|H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:143.2
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.98634151
Monoisotopic Mass:142.98634151
Topological Polar Surface Area:86.4
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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