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2-octylthiophene

2-octylthiophene

CAS: 880-36-4

Formula: C12H20S

SMILES: CCCCCCCCC1=CC=CS1

IUPAC: 2-octylthiophene

InChI: InChI=1S/C12H20S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3

Composition: C (73.40%), H (10.27%), S (16.33%)

Molar Mass: 196.35

Atom Count: 33

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.128571818
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey GIFWAJGKWIDXMY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 60.35
Topological Polar Surface Area 0
Polarizability 23.65
Ring Count 1
Rotatable Bond Count 7

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