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113591-58-5 | Thiophene, 2-methyl-5-pentyl-
CAS No: 113591-58-5 Catalog No: AG00092L MDL No:
Product Description
Catalog Number:
AG00092L
Chemical Name:
Thiophene, 2-methyl-5-pentyl-
CAS Number:
113591-58-5
Molecular Formula:
C10H16S
Molecular Weight:
168.2990
IUPAC Name:
2-methyl-5-pentylthiophene
InChI:
InChI=1S/C10H16S/c1-3-4-5-6-10-8-7-9(2)11-10/h7-8H,3-6H2,1-2H3
InChI Key:
SAQLTJYOYWUZSD-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(s1)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.097g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.298g/mol
Monoisotopic Mass:
168.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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