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Home > Encyclopedia > 6-Nitro-2(3H)-benzothiazolethione

6-Nitro-2(3H)-benzothiazolethione

6-Nitro-2(3H)-benzothiazolethione structure

6-Nitro-2(3H)-benzothiazolethione 

structure
  • CAS No:

    4845-58-3

  • Formula:

    C7H4N2O2S2

  • Chemical Name:

    6-Nitro-2(3H)-benzothiazolethione

  • Synonyms:

    2(3H)-Benzothiazolethione,6-nitro-;2-Benzothiazolinethione,6-nitro-;2-Benzothiazolethiol,6-nitro-;Benzothiazole,2-mercapto-6-nitro-;6-Nitro-2(3H)-benzothiazolethione;2-Mercapto-6-nitrobenzothiazole;6-Nitro-2-mercaptobenzothiazole;6-Nitrobenzothiazole-2-thiol;6-Nitro-2-benzothiazolinethione;NSC 2630;SKA 6;6-Nitro-2-mercaptobenzo[d]thiazole;29519-08-2

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

yellow powder

6-Nitro-2(3H)-benzothiazolethione Basic Attributes

212.241

212.25

2630

DTXSID3063621

2934999090

Characteristics

115

2.2

yellow powder

1.6±0.1 g/cm3

226 °C

348.4°C at 760 mmHg

184.1±25.7 °C

1.789

Safety Information

R36/37/38

S45-S36/37/39-S26

DL6600000

T: Toxic;

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, P501

H302

|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|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Nitro-2(3H)-benzothiazolethione Use and Manufacturing

2(3H)-Benzothiazolethione, 6-nitro-: ACTIVE

Computed Properties

Molecular Weight:212.3
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:211.97141972
Monoisotopic Mass:211.97141972
Topological Polar Surface Area:115
Heavy Atom Count:13
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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