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89767-76-0 | Isothiazole, 4,5-dihydro-4,4,5,5-tetramethyl-3-(2-thienyl)-
CAS No: 89767-76-0 Catalog No: AG008781 MDL No:
Product Description
Catalog Number:
AG008781
Chemical Name:
Isothiazole, 4,5-dihydro-4,4,5,5-tetramethyl-3-(2-thienyl)-
CAS Number:
89767-76-0
Molecular Formula:
C11H15NS2
Molecular Weight:
225.3735
IUPAC Name:
4,4,5,5-tetramethyl-3-thiophen-2-yl-1,2-thiazole
InChI:
InChI=1S/C11H15NS2/c1-10(2)9(8-6-5-7-13-8)12-14-11(10,3)4/h5-7H,1-4H3
InChI Key:
CEZONMPYUWROAN-UHFFFAOYSA-N
SMILES:
CC1(C)SN=C(C1(C)C)c1cccs1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.368g/mol
Monoisotopic Mass:
225.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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