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87701-39-1 | Isothiazole, 5-chloro-2,3-dihydro-2-methyl-
CAS No: 87701-39-1 Catalog No: AG004JN8 MDL No:
Product Description
Catalog Number:
AG004JN8
Chemical Name:
Isothiazole, 5-chloro-2,3-dihydro-2-methyl-
CAS Number:
87701-39-1
Molecular Formula:
C4H6ClNS
Molecular Weight:
135.6151
IUPAC Name:
5-chloro-2-methyl-3H-1,2-thiazole
InChI:
InChI=1S/C4H6ClNS/c1-6-3-2-4(5)7-6/h2H,3H2,1H3
InChI Key:
SYRYCMSRILEZNI-UHFFFAOYSA-N
SMILES:
CN1CC=C(S1)Cl
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.991g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.609g/mol
Monoisotopic Mass:
134.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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