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35537-36-1 | 3,5-Bis(methylthio)-4-phenylisothiazole
CAS No: 35537-36-1 Catalog No: AG00CQH5 MDL No:
Product Description
Catalog Number:
AG00CQH5
Chemical Name:
3,5-Bis(methylthio)-4-phenylisothiazole
CAS Number:
35537-36-1
IUPAC Name:
3,5-bis(methylsulfanyl)-4-phenyl-1,2-thiazole
InChI:
InChI=1S/C11H11NS3/c1-13-10-9(11(14-2)15-12-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
GXGMVTXQUKYDPF-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.396g/mol
Monoisotopic Mass:
253.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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