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27371-67-1 | 2-(2-Methyl-butylsulfanyl)-benzothiazole
CAS No: 27371-67-1 Catalog No: AG00JQD2 MDL No:
Product Description
Catalog Number:
AG00JQD2
Chemical Name:
2-(2-Methyl-butylsulfanyl)-benzothiazole
CAS Number:
27371-67-1
Molecular Formula:
C12H15NS2
Molecular Weight:
237.3842
IUPAC Name:
2-(2-methylbutylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS2/c1-3-9(2)8-14-12-13-10-6-4-5-7-11(10)15-12/h4-7,9H,3,8H2,1-2H3
InChI Key:
HFCLWLRPTNSSDN-UHFFFAOYSA-N
SMILES:
CCC(CSc1nc2c(s1)cccc2)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.379g/mol
Monoisotopic Mass:
237.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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