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26172-55-4 | 5-Chloro-2-methyl-4-isothiazolin-3-one
CAS No: 26172-55-4 Catalog No: AG00384S MDL No:MFCD00792550
Product Description
Catalog Number:
AG00384S
Chemical Name:
5-Chloro-2-methyl-4-isothiazolin-3-one
CAS Number:
26172-55-4
Molecular Formula:
C4H4ClNOS
Molecular Weight:
149.5987
MDL Number:
MFCD00792550
IUPAC Name:
5-chloro-2-methyl-1,2-thiazol-3-one
InChI:
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChI Key:
DHNRXBZYEKSXIM-UHFFFAOYSA-N
SMILES:
Cn1sc(cc1=O)Cl
EC Number:
247-500-7
UNII:
DEL7T5QRPN
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.97g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.592g/mol
Monoisotopic Mass:
148.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
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|---|---|
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