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189253-62-1 | 1H-Pyrrole, 1-hexyl-2,5-bis(2-thienylmethyl)-
CAS No: 189253-62-1 Catalog No: AG002I4Y MDL No:
Product Description
Catalog Number:
AG002I4Y
Chemical Name:
1H-Pyrrole, 1-hexyl-2,5-bis(2-thienylmethyl)-
CAS Number:
189253-62-1
Molecular Formula:
C20H25NS2
Molecular Weight:
343.5492
IUPAC Name:
1-hexyl-2,5-bis(thiophen-2-ylmethyl)pyrrole
InChI:
InChI=1S/C20H25NS2/c1-2-3-4-5-12-21-17(15-19-8-6-13-22-19)10-11-18(21)16-20-9-7-14-23-20/h6-11,13-14H,2-5,12,15-16H2,1H3
InChI Key:
BWLIHIOLXCKWLW-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(ccc1Cc1cccs1)Cc1cccs1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.547g/mol
Monoisotopic Mass:
343.143g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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