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CAS Number: 1003-07-2
isothiazol-3(2H)-one

Structure

 isothiazol-3(2H)-one
Name: isothiazol-3(2H)-one
Synonyms:
General Information
Product Number: 1003072
CAS Registry Number: 1003-07-2
Name:
3(2H)​-​Isothiazolone
4-​Isothiazolin-​3-​one (7CI,​8CI); 3-​Hydroxyisothiazole; 3-​Isothiazolol; 3-​Isothiazolone; 3-​Oxo-​2,​3-​dihydroisothiazole; A 01; Duo Mei Jing; Ebotec aqua; GT 2060; Isothiazolin-​3-​one; Isothiazolinone; NSC 93489 
Deleted CAS Registry Numbers: 20599-​55-​7
 
Chemical Formula: C3H3NOS
Exact Mass: 100.99
Molecular Weight: 101.13
m/z: 100.99 (100.0%), 102.99 (4.5%), 102.00 (3.3%), 101.99 (1.2%)
Elemental Analysis: C, 35.63; H, 2.99; N, 13.85; O, 15.82; S, 31.71
 
InChI: InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
InChIKey: MGIYRDNGCNKGJU-UHFFFAOYSA-N
Canonical SMILES : C1=CSNC1=O
 
Thermal Properties Value Condition Note
Melting Point 74-75 °C   (2)CAS
Melting Point 73-74 °C   (3)CAS

Specification

98%
References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Crow, Wilfred D.; Tetrahedron Letters 1964, (23-24), P1477-80 CAPLUS
  3. (3) Leonard, Nelson J.; Journal of the American Chemical Society 1964, V86(23), P5307-16 CAPLUS
  4. (4) Morley, John O.; International Journal of Chemical Kinetics 2007, V39(5), P254-260 CAPLUS
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