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73713-86-7 | 2-Pentylthiobenzothiazole
CAS No: 73713-86-7 Catalog No: AG005LMZ MDL No:
Product Description
Catalog Number:
AG005LMZ
Chemical Name:
2-Pentylthiobenzothiazole
CAS Number:
73713-86-7
Molecular Formula:
C12H15NS2
Molecular Weight:
237.3842
IUPAC Name:
2-pentylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS2/c1-2-3-6-9-14-12-13-10-7-4-5-8-11(10)15-12/h4-5,7-8H,2-3,6,9H2,1H3
InChI Key:
WVVKTTRATLBDGT-UHFFFAOYSA-N
SMILES:
CCCCCSc1nc2c(s1)cccc2
Properties
Complexity:
187
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:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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